Prefix(:=) Prefix(owl:=) Prefix(rdf:=) Prefix(xml:=) Prefix(xsd:=) Prefix(rdfs:=) Ontology( Annotation(owl:versionInfo "2023-05-19") Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) 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Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) 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Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) 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Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(ObjectProperty()) Declaration(ObjectProperty()) Declaration(ObjectProperty()) Declaration(ObjectProperty()) Declaration(ObjectProperty()) Declaration(ObjectProperty()) Declaration(ObjectProperty()) Declaration(ObjectProperty()) Declaration(ObjectProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty(rdfs:label)) ############################ # Annotation Properties ############################ # Annotation Property: (definition) AnnotationAssertion(rdfs:label "definition") # Annotation Property: () SubAnnotationPropertyOf( ) # Annotation Property: () SubAnnotationPropertyOf( ) # Annotation Property: () SubAnnotationPropertyOf( ) # Annotation Property: () SubAnnotationPropertyOf( ) # Annotation Property: () SubAnnotationPropertyOf( ) # Annotation Property: () SubAnnotationPropertyOf( ) # Annotation Property: (has_alternative_id) AnnotationAssertion(rdfs:label "has_alternative_id") # Annotation Property: (database_cross_reference) AnnotationAssertion(rdfs:label "database_cross_reference") # Annotation Property: (has_exact_synonym) AnnotationAssertion(rdfs:label "has_exact_synonym") # Annotation Property: (has_obo_namespace) AnnotationAssertion(rdfs:label "has_obo_namespace") # Annotation Property: (has_related_synonym) AnnotationAssertion(rdfs:label "has_related_synonym") # Annotation Property: (in_subset) AnnotationAssertion(rdfs:label "in_subset") # Annotation Property: (shorthand) AnnotationAssertion(rdfs:label "shorthand") ############################ # Object Properties ############################ # Object Property: (has part) AnnotationAssertion( "BFO:0000051") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "has_part") AnnotationAssertion( "false"^^xsd:boolean) AnnotationAssertion( "has_part") AnnotationAssertion(rdfs:label "has part") TransitiveObjectProperty() # Object Property: (has role) AnnotationAssertion( "RO:0000087") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "has_role") AnnotationAssertion( "false"^^xsd:boolean) AnnotationAssertion( "false"^^xsd:boolean) AnnotationAssertion( "has_role") AnnotationAssertion(rdfs:label "has role") # Object Property: (has functional parent) AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "has_functional_parent") AnnotationAssertion( "false"^^xsd:boolean) AnnotationAssertion( "false"^^xsd:boolean) AnnotationAssertion(rdfs:label "has functional parent") # Object Property: (has parent hydride) AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "has_parent_hydride") AnnotationAssertion( "false"^^xsd:boolean) AnnotationAssertion( "false"^^xsd:boolean) AnnotationAssertion(rdfs:label "has parent hydride") # Object Property: (is conjugate acid of) AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "is_conjugate_acid_of") AnnotationAssertion( "true"^^xsd:boolean) AnnotationAssertion( "false"^^xsd:boolean) AnnotationAssertion(rdfs:label "is conjugate acid of") InverseObjectProperties( ) # Object Property: (is conjugate base of) AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "is_conjugate_base_of") AnnotationAssertion( "true"^^xsd:boolean) AnnotationAssertion( "false"^^xsd:boolean) AnnotationAssertion(rdfs:label "is conjugate base of") # Object Property: (is enantiomer of) AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "is_enantiomer_of") AnnotationAssertion( "true"^^xsd:boolean) AnnotationAssertion( "false"^^xsd:boolean) AnnotationAssertion(rdfs:label "is enantiomer of") # Object Property: (is substituent group from) AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "is_substituent_group_from") AnnotationAssertion( "false"^^xsd:boolean) AnnotationAssertion( "false"^^xsd:boolean) AnnotationAssertion(rdfs:label "is substituent group from") # Object Property: (is tautomer of) AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "is_tautomer_of") AnnotationAssertion( "true"^^xsd:boolean) AnnotationAssertion(rdfs:label "is tautomer of") TransitiveObjectProperty() ############################ # Classes ############################ # Class: (nalidixic acid) AnnotationAssertion( "A monocarboxylic acid comprising 1,8-naphthyridin-4-one substituted by carboxylic acid, ethyl and methyl groups at positions 3, 1, and 7, respectively. An orally administered antibacterial, it is used in the treatment of lower urinary-tract infections due to Gram-negative bacteria, including the majority of E. coli, Enterobacter, Klebsiella, and Proteus species.") AnnotationAssertion( "0") AnnotationAssertion( "C12H12N2O3") AnnotationAssertion( "InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)") AnnotationAssertion( "MHWLWQUZZRMNGJ-UHFFFAOYSA-N") AnnotationAssertion( "232.23530") AnnotationAssertion( "232.08479") AnnotationAssertion( "CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12") AnnotationAssertion( "CHEBI:7456") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:389-08-2") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:389-08-2") AnnotationAssertion( "DrugBank:DB00779") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:1875") AnnotationAssertion( "KEGG:C05079") AnnotationAssertion( "KEGG:D00183") AnnotationAssertion( "LINCS:LSM-5590") AnnotationAssertion( "PDBeChem:NIX") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11321869") AnnotationAssertion(Annotation( "Europe PMC") "PMID:12002106") AnnotationAssertion(Annotation( "Europe PMC") "PMID:12399485") AnnotationAssertion(Annotation( "Europe PMC") "PMID:12702698") AnnotationAssertion(Annotation( "Europe PMC") "PMID:14107587") AnnotationAssertion(Annotation( "Europe PMC") "PMID:16107187") AnnotationAssertion(Annotation( "Europe PMC") "PMID:16423473") AnnotationAssertion(Annotation( "Europe PMC") "PMID:16667857") AnnotationAssertion(Annotation( "Europe PMC") "PMID:16803589") AnnotationAssertion(Annotation( "Europe PMC") "PMID:17132068") AnnotationAssertion(Annotation( "Europe PMC") "PMID:17631104") AnnotationAssertion(Annotation( "Europe PMC") "PMID:18788798") AnnotationAssertion(Annotation( "Europe PMC") "PMID:19071706") AnnotationAssertion(Annotation( "Europe PMC") "PMID:28166217") AnnotationAssertion( "Patent:BE612258") AnnotationAssertion( "Patent:US3590036") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:750515") AnnotationAssertion( "VSDB:1880") AnnotationAssertion( "Wikipedia:Nalidixic_Acid") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid") AnnotationAssertion(Annotation( "ChEMBL") "NALIDIXIC ACID") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Nalidixic acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1,4-dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid") AnnotationAssertion(Annotation( "ChemIDplus") "1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure") AnnotationAssertion(Annotation( "ChEMBL") "1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid") AnnotationAssertion(Annotation( "ChemIDplus") "1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid") AnnotationAssertion(Annotation( "ChemIDplus") "1-ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-carboxylic acid") AnnotationAssertion(Annotation( "ChemIDplus") "3-carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "acide nalidixique") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "acido nalidixico") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "acidum nalidixicum") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "nalidixic acid") AnnotationAssertion( "CHEBI:100147") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "nalidixic acid") SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (voriconazole) AnnotationAssertion( "A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4.") AnnotationAssertion( "0") AnnotationAssertion( "C16H14F3N5O") AnnotationAssertion( "InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1") AnnotationAssertion( "BCEHBSKCWLPMDN-MGPLVRAMSA-N") AnnotationAssertion( "349.31050") AnnotationAssertion( "349.11504") AnnotationAssertion( "C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F") AnnotationAssertion( "CHEBI:127308") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:7694998") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:137234-62-9") AnnotationAssertion(Annotation( "DrugBank") "CAS:137234-62-9") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:137234-62-9") AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:137234-62-9") AnnotationAssertion( "DrugBank:DB00582") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2846") AnnotationAssertion( "KEGG:C07622") AnnotationAssertion( "KEGG:D00578") AnnotationAssertion( "LINCS:LSM-5244") AnnotationAssertion(Annotation( "Europe PMC") "PMID:12940129") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22718362") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23392902") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23527908") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23766489") AnnotationAssertion(Annotation( "Europe PMC") "PMID:24102553") AnnotationAssertion( "Patent:EP440372") AnnotationAssertion( "Patent:US5278175") AnnotationAssertion( "Wikipedia:Voriconazole") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol") AnnotationAssertion(Annotation( "UniProt") "voriconazole") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "(R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol") AnnotationAssertion(Annotation( "ChemIDplus") "(alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol") AnnotationAssertion(Annotation( "DrugBank") "VCZ") AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "Vfend") AnnotationAssertion(Annotation( "WHO_MedNet") Annotation( ) "voriconazol") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "voriconazole") AnnotationAssertion(Annotation( "WHO_MedNet") Annotation( ) "voriconazole") AnnotationAssertion(Annotation( "WHO_MedNet") Annotation( ) "voriconazolum") AnnotationAssertion( "CHEBI:10023") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "voriconazole") SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) # Class: (ciprofloxacin) AnnotationAssertion( "A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.") AnnotationAssertion( "0") AnnotationAssertion( "C17H18FN3O3") AnnotationAssertion( "InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)") AnnotationAssertion( "MYSWGUAQZAJSOK-UHFFFAOYSA-N") AnnotationAssertion( "331.34150") AnnotationAssertion( "331.13322") AnnotationAssertion( "OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O") AnnotationAssertion( "CHEBI:102718") AnnotationAssertion( "CHEBI:3717") AnnotationAssertion( "CHEBI:41638") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3568352") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:85721-33-1") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:85721-33-1") AnnotationAssertion( "DrugBank:DB00537") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:659") AnnotationAssertion( "HMDB:HMDB0014677") AnnotationAssertion( "KEGG:C05349") AnnotationAssertion( "KEGG:D00186") AnnotationAssertion( "LINCS:LSM-5226") AnnotationAssertion( "PDBeChem:CPF") AnnotationAssertion(Annotation( "ChEMBL") "PMID:10397494") AnnotationAssertion(Annotation( "ChEMBL") "PMID:10737746") AnnotationAssertion( "Patent:DE3142854") AnnotationAssertion( "Patent:US4670444") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:3568352") AnnotationAssertion( "VSDB:1763") AnnotationAssertion( "Wikipedia:Ciprofloxacin") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Ciprofloxacin") AnnotationAssertion(Annotation( "ChEMBL") "ciprofloxacin") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "PDBeChem") "1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID") AnnotationAssertion(Annotation( "ChEMBL") "1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid") AnnotationAssertion(Annotation( "ChEMBL") "1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid") AnnotationAssertion(Annotation( "ChemIDplus") "1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid") AnnotationAssertion(Annotation( "ChEMBL") "1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid") AnnotationAssertion(Annotation( "ChEMBL") "1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid") AnnotationAssertion(Annotation( "ChEMBL") "1-cyclopropyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "ciprofloxacin") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "ciprofloxacine") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "ciprofloxacino") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "ciprofloxacinum") AnnotationAssertion( "CHEBI:100241") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "ciprofloxacin") SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (norfloxacin) AnnotationAssertion( "A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase.") AnnotationAssertion( "0") AnnotationAssertion( "C16H18FN3O3") AnnotationAssertion( "InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)") AnnotationAssertion( "OGJPXUAPXNRGGI-UHFFFAOYSA-N") AnnotationAssertion( "319.33080") AnnotationAssertion( "319.13322") AnnotationAssertion( "CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1") AnnotationAssertion( "CHEBI:7629") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:567897") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:70458-96-7") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:70458-96-7") AnnotationAssertion( "DrugBank:DB01059") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:1967") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1576626") AnnotationAssertion( "HMDB:HMDB0015192") AnnotationAssertion( "KEGG:C06687") AnnotationAssertion( "KEGG:D00210") AnnotationAssertion( "LINCS:LSM-5286") AnnotationAssertion(Annotation( "Europe PMC") "PMID:3317294") AnnotationAssertion(Annotation( "Europe PMC") "PMID:3908074") AnnotationAssertion(Annotation( "Europe PMC") "PMID:6211142") AnnotationAssertion(Annotation( "Europe PMC") "PMID:6224685") AnnotationAssertion(Annotation( "Europe PMC") "PMID:6234465") AnnotationAssertion(Annotation( "Europe PMC") "PMID:6454381") AnnotationAssertion(Annotation( "Europe PMC") "PMID:6461606") AnnotationAssertion( "Patent:BE863429") AnnotationAssertion( "Patent:DE2840910") AnnotationAssertion( "Patent:US4146719") AnnotationAssertion( "Patent:US4292317") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:567897") AnnotationAssertion( "VSDB:1831") AnnotationAssertion( "Wikipedia:Norfloxacin") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1,4-Dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid") AnnotationAssertion(Annotation( "ChemIDplus") "1-Ethyl-6-fluor-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-chinolincarbonsaeure") AnnotationAssertion(Annotation( "ChemIDplus") "1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid") AnnotationAssertion(Annotation( "KEGG_DRUG") "NFLX") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "norfloxacin") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "norfloxacine") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "norfloxacino") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "norfloxacinum") AnnotationAssertion( "CHEBI:100246") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "norfloxacin") SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (warfarin) AnnotationAssertion( "A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1293536") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:81-81-2") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:81-81-2") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:81-81-2") AnnotationAssertion( "DrugBank:DB00682") AnnotationAssertion( "HMDB:HMDB0001935") AnnotationAssertion( "KEGG:C01541") AnnotationAssertion( "KEGG:D08682") AnnotationAssertion(Annotation( "Europe PMC") "PMID:13358873") AnnotationAssertion(Annotation( "Europe PMC") "PMID:15578879") AnnotationAssertion(Annotation( "Europe PMC") "PMID:18294321") AnnotationAssertion(Annotation( "Europe PMC") "PMID:19294412") AnnotationAssertion(Annotation( "Europe PMC") "PMID:24478171") AnnotationAssertion(Annotation( "Europe PMC") "PMID:24973057") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25022924") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25023204") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25393417") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25466603") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25534862") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25537751") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25555316") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25683623") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25757926") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25823787") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25828628") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25830869") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25842804") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25845131") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25986145") AnnotationAssertion(Annotation( "Europe PMC") "PMID:26114209") AnnotationAssertion(Annotation( "Europe PMC") "PMID:26142522") AnnotationAssertion(Annotation( "Europe PMC") "PMID:26142525") AnnotationAssertion(Annotation( "Europe PMC") "PMID:26203765") AnnotationAssertion(Annotation( "Europe PMC") "PMID:26238769") AnnotationAssertion( "Patent:US2427578") AnnotationAssertion( "Patent:US2765321") AnnotationAssertion( "Patent:US2777859") AnnotationAssertion( "Patent:US3239529") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1293536") AnnotationAssertion( "Wikipedia:Warfarin") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "rac-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "(+/-)-Warfarin") AnnotationAssertion(Annotation( "ChemIDplus") "(Phenyl-1 acetyl-2 ethyl) 3-hydroxy-4 coumarine") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "(RS)-Warfarin") AnnotationAssertion(Annotation( "ChemIDplus") "1-(4'-Hydroxy-3'-coumarinyl)-1-phenyl-3-butanone") AnnotationAssertion(Annotation( "ChemIDplus") "2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-") AnnotationAssertion(Annotation( "ChemIDplus") "3-(1'-Phenyl-2'-acetylethyl)-4-hydroxycoumarin") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "3-(Acetonylbenzyl)-4-hydroxycoumarin") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "3-(Alpha-acetonylbenzyl)-4-hydroxycoumarin") AnnotationAssertion(Annotation( "ChemIDplus") "3-(alpha-Phenyl-beta-acetylaethyl)-4-hydroxycumarin") AnnotationAssertion(Annotation( "ChemIDplus") "3-(alpha-Phenyl-beta-acetylethyl)-4-hydroxycoumarin") AnnotationAssertion(Annotation( "ChemIDplus") "4-Hydroxy-3-(3-oxo-1-phenyl-butyl)-cumarin") AnnotationAssertion(Annotation( "ChEBI") "4-Hydroxy-3-(3-oxo-1-phenylbutyl)coumarin") AnnotationAssertion(Annotation( "ChemIDplus") "Coumafene") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "DL-3-(alpha-acetonylbenzyl)-4-hydroxycoumarin") AnnotationAssertion(Annotation( "ChEBI") "DL-warfarin") AnnotationAssertion(Annotation( "DrugBank") Annotation( ) "Warf 10") AnnotationAssertion(Annotation( "ChemIDplus") "Zoocoumarin") AnnotationAssertion(Annotation( "ChEBI") "rac-warfarin") AnnotationAssertion(Annotation( "ChEBI") "racemic warfarin") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "warfarin") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "warfarina") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "warfarine") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "warfarinum") AnnotationAssertion( "CHEBI:10033") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "warfarin") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (wax ester) AnnotationAssertion( "A fatty acid ester resulting from the condensation of the carboxy group of a fatty acid with the alcoholic hydroxy group of a fatty alcohol.") AnnotationAssertion( "0") AnnotationAssertion( "CO2R2") AnnotationAssertion( "44.010") AnnotationAssertion( "43.98983") AnnotationAssertion( "[*]OC([*])=O") AnnotationAssertion( "CHEBI:13221") AnnotationAssertion( "KEGG:C01629") AnnotationAssertion( "MetaCyc:Wax-Esters") AnnotationAssertion(Annotation( "Europe PMC") "PMID:12831900") AnnotationAssertion(Annotation( "Europe PMC") "PMID:17750349") AnnotationAssertion(Annotation( "Europe PMC") "PMID:18821728") AnnotationAssertion(Annotation( "Europe PMC") "PMID:21247555") AnnotationAssertion(Annotation( "Europe PMC") "PMID:21256496") AnnotationAssertion(Annotation( "Europe PMC") "PMID:21961954") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22058425") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22685145") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22878160") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23087036") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23109878") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23196873") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23272127") AnnotationAssertion( "Wikipedia:Wax_ester") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Wax esters") AnnotationAssertion(Annotation( "UniProt") "a wax ester") AnnotationAssertion( "CHEBI:10036") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "wax ester") SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (Xamoterol) AnnotationAssertion( "0") AnnotationAssertion( "C16H25N3O5") AnnotationAssertion( "InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)") AnnotationAssertion( "DXPOSRCHIDYWHW-UHFFFAOYSA-N") AnnotationAssertion( "339.387") AnnotationAssertion( "339.17942") AnnotationAssertion( "OC(CNCCNC(=O)N1CCOCC1)COc1ccc(O)cc1") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:81801-12-9") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2848") AnnotationAssertion( "KEGG:C11775") AnnotationAssertion( "KEGG:D06328") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Xamoterol") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "DrugCentral") "xamoterol fumarate") AnnotationAssertion(Annotation( "DrugCentral") "xamoterol hemifumarate") AnnotationAssertion( "CHEBI:10055") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "Xamoterol") SubClassOf( ) # Class: (Xylometazoline) AnnotationAssertion( "0") AnnotationAssertion( "C16H24N2") AnnotationAssertion( "InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)") AnnotationAssertion( "HUCJFAOMUPXHDK-UHFFFAOYSA-N") AnnotationAssertion( "244.376") AnnotationAssertion( "244.19395") AnnotationAssertion( "Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:526-36-3") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:3658") AnnotationAssertion( "HMDB:HMDB0015640") AnnotationAssertion( "KEGG:C07913") AnnotationAssertion( "KEGG:D08684") AnnotationAssertion( "LINCS:LSM-5262") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Xylometazoline") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "DrugCentral") "otrivine") AnnotationAssertion(Annotation( "DrugCentral") "rhinoxilin") AnnotationAssertion(Annotation( "DrugCentral") "xylometazoline HCl") AnnotationAssertion(Annotation( "DrugCentral") "xylometazoline hydrochloride") AnnotationAssertion( "CHEBI:10082") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "Xylometazoline") SubClassOf( ) # Class: (yohimbine) AnnotationAssertion( "An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina.") AnnotationAssertion( "0") AnnotationAssertion( "C21H26N2O3") AnnotationAssertion( "InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1") AnnotationAssertion( "BLGXFZZNTVWLAY-SCYLSFHTSA-N") AnnotationAssertion( "354.44282") AnnotationAssertion( "354.19434") AnnotationAssertion( "[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCc3c1[nH]c1ccccc31)C2") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:4720812") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:97276") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:146-48-5") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:146-48-5") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:146-48-5") AnnotationAssertion( "DrugBank:DB01392") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:3659") AnnotationAssertion( "KEGG:C09256") AnnotationAssertion( "KEGG:D08685") AnnotationAssertion( "KNApSAcK:C00001789") AnnotationAssertion( "LINCS:LSM-2779") AnnotationAssertion( "VSDB:3010") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Yohimbine") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "methyl 17alpha-hydroxyyohimban-16alpha-carboxylate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "(+)-yohimbine") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "(16alpha,17alpha)-17-hydroxyyohimban-16-carboxylic acid methyl ester") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "17alpha-hydroxyyohimban-16alpha-carboxylic acid methyl ester") AnnotationAssertion(Annotation( "ChEBI") "Johimbin") AnnotationAssertion(Annotation( "ChemIDplus") "Quebrachin") AnnotationAssertion(Annotation( "ChemIDplus") "Yohimbin") AnnotationAssertion(Annotation( "ChemIDplus") "aphrodine") AnnotationAssertion(Annotation( "ChemIDplus") "corynine") AnnotationAssertion(Annotation( "ChemIDplus") "quebrachine") AnnotationAssertion(Annotation( "ChemIDplus") "yohimbic acid methyl ester") AnnotationAssertion( "CHEBI:10093") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "yohimbine") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (zafirlukast) AnnotationAssertion( "0") AnnotationAssertion( "C31H33N3O6S") AnnotationAssertion( "InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)") AnnotationAssertion( "YEEZWCHGZNKEEK-UHFFFAOYSA-N") AnnotationAssertion( "575.677") AnnotationAssertion( "575.20901") AnnotationAssertion( "C1=CC=2N(C=C(C2C=C1NC(OC3CCCC3)=O)CC4=CC=C(C(NS(C5=CC=CC=C5C)(=O)=O)=O)C=C4OC)C") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3641829") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:107753-78-6") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:107753-78-6") AnnotationAssertion( "DrugBank:DB00549") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2855") AnnotationAssertion( "HMDB:HMDB0014689") AnnotationAssertion( "KEGG:C07206") AnnotationAssertion( "KEGG:D00411") AnnotationAssertion( "LINCS:LSM-5792") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11888331") AnnotationAssertion(Annotation( "Europe PMC") "PMID:19331987") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22159431") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22614107") AnnotationAssertion(Annotation( "Europe PMC") "PMID:24258705") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25798389") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25834030") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:3641829") AnnotationAssertion( "Wikipedia:Zafirlukast") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cyclopentyl 3-[2-methoxy-4-(2-methylphenylsulfonylcarbamoyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "Accolate") AnnotationAssertion(Annotation( "ChemIDplus") "cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "zafirlukast") AnnotationAssertion( "CHEBI:10100") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "zafirlukast") SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (zalcitabine) AnnotationAssertion( "A pyrimidine 2',3'-dideoxyribonucleoside compound having cytosine as the nucleobase.") AnnotationAssertion( "0") AnnotationAssertion( "C9H13N3O3") AnnotationAssertion( "InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1") AnnotationAssertion( "WREGKURFCTUGRC-POYBYMJQSA-N") AnnotationAssertion( "211.21780") AnnotationAssertion( "211.09569") AnnotationAssertion( "Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:654956") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7481-89-2") AnnotationAssertion(Annotation( "DrugBank") "CAS:7481-89-2") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7481-89-2") AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:7481-89-2") AnnotationAssertion( "DrugBank:DB00943") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2856") AnnotationAssertion( "HMDB:HMDB0015078") AnnotationAssertion( "KEGG:C07207") AnnotationAssertion( "KEGG:D00412") AnnotationAssertion( "LINCS:LSM-5915") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11905988") AnnotationAssertion(Annotation( "Europe PMC") "PMID:7727578") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:654956") AnnotationAssertion( "Wikipedia:Zalcitabine") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "2',3'-dideoxycytidine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "2',3'-Dideoxycytidine") AnnotationAssertion(Annotation( "IUPAC") "4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one") AnnotationAssertion(Annotation( "DrugBank") "DDC") AnnotationAssertion(Annotation( "DrugBank") "DDCYD") AnnotationAssertion(Annotation( "DrugBank") "Dideoxycytidine") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "zalcitabine") AnnotationAssertion( "CHEBI:10101") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "zalcitabine") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (zaleplon) AnnotationAssertion( "A pyrazolo[1,5-a]pyrimidine having a nitrile group at position 3 and a 3-(N-ethylacetamido)phenyl substituent at the 7-position.") AnnotationAssertion( "0") AnnotationAssertion( "C17H15N5O") AnnotationAssertion( "InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3") AnnotationAssertion( "HUNXMJYCHXQEGX-UHFFFAOYSA-N") AnnotationAssertion( "305.33390") AnnotationAssertion( "305.12766") AnnotationAssertion( "CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:8153844") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:151319-34-5") AnnotationAssertion(Annotation( "DrugBank") "CAS:151319-34-5") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:151319-34-5") AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:151319-34-5") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:151319-34-5") AnnotationAssertion( "DrugBank:DB00962") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2857") AnnotationAssertion( "KEGG:C07484") AnnotationAssertion( "KEGG:D00530") AnnotationAssertion( "LINCS:LSM-5971") AnnotationAssertion( "Patent:US4626538") AnnotationAssertion( "Wikipedia:Zaleplon") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "3'-(3-Cyanopyrazolo(1,5-a)pyrimidin-7-yl)-N-ethylacetanilide") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "zaleplon") AnnotationAssertion( "CHEBI:10102") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "zaleplon") SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (diclofenamide) AnnotationAssertion( "A sulfonamide that is benzene-1,3-disulfonamide in which the hydrogens at positions 4 and 5 are substituted by chlorine. An oral carbonic anhydrase inhibitor, it partially suppresses the secretion (inflow) of aqueous humor in the eye and so reduces intraocular pressure. It is used for the treatment of glaucoma.") AnnotationAssertion( "0") AnnotationAssertion( "C6H6Cl2N2O4S2") AnnotationAssertion( "InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)") AnnotationAssertion( "GJQPMPFPNINLKP-UHFFFAOYSA-N") AnnotationAssertion( "305.15900") AnnotationAssertion( "303.91460") AnnotationAssertion( "NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O") AnnotationAssertion( "CHEBI:4505") AnnotationAssertion( "CHEBI:47477") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:2703329") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:120-97-8") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:120-97-8") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:120-97-8") AnnotationAssertion( "DrugBank:DB01144") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:864") AnnotationAssertion( "KEGG:C07459") AnnotationAssertion( "KEGG:D00518") AnnotationAssertion( "LINCS:LSM-3602") AnnotationAssertion( "PDBeChem:I7A") AnnotationAssertion( "Patent:US2835702") AnnotationAssertion( "Wikipedia:Dichlorphenamide") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "4,5-dichlorobenzene-1,3-disulfonamide") AnnotationAssertion(Annotation( "ChEMBL") "DICLOFENAMIDE") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Diclofenamide") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1,3-disulfamoyl-4,5-dichlorobenzene") AnnotationAssertion(Annotation( "ChemIDplus") "1,3-disulfamyl-4,5-dichlorobenzene") AnnotationAssertion(Annotation( "ChemIDplus") "3,4-dichloro-5-sulfamylbenzenesulfonamide") AnnotationAssertion(Annotation( "PDBeChem") "4,5-DICHLOROBENZENE-1,3-DISULFONAMIDE") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "4,5-dichloro-1,3-benzenedisulfonamide") AnnotationAssertion(Annotation( "ChemIDplus") "4,5-dichloro-1,3-disulfamoylbenzene") AnnotationAssertion(Annotation( "ChEMBL") "4,5-dichloro-benzene-1,3-disulfonic acid diamide") AnnotationAssertion(Annotation( "ChemIDplus") "4,5-dichloro-m-benzenedisulfonamide") AnnotationAssertion(Annotation( "ChEMBL") "DICHLORPHENAMIDE") AnnotationAssertion(Annotation( "ChEMBL") "Dichlorophenamide") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Dichlorphenamide") AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "dichlofenamide") AnnotationAssertion(Annotation( "ChEMBL") "dichlorophenamide") AnnotationAssertion(Annotation( "ChEMBL") "dichlorphenamide") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "diclofenamida") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "diclofenamidum") AnnotationAssertion( "CHEBI:101085") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "diclofenamide") SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (zidovudine) AnnotationAssertion( "A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.") AnnotationAssertion( "0") AnnotationAssertion( "C10H13N5O4") AnnotationAssertion( "InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1") AnnotationAssertion( "HBOMLICNUCNMMY-XLPZGREQSA-N") AnnotationAssertion( "267.24130") AnnotationAssertion( "267.09675") AnnotationAssertion( "Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O") AnnotationAssertion( "CHEBI:619601") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:763034") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:30516-87-1") AnnotationAssertion(Annotation( "DrugBank") "CAS:30516-87-1") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:30516-87-1") AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:30516-87-1") AnnotationAssertion( "DrugBank:DB00495") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2861") AnnotationAssertion( "KEGG:C07210") AnnotationAssertion( "KEGG:D00413") AnnotationAssertion( "LINCS:LSM-5806") AnnotationAssertion( "MetaCyc:CPD-15110") AnnotationAssertion( "PDBeChem:AZZ") AnnotationAssertion(Annotation( "ChEMBL") "PMID:19112024") AnnotationAssertion(Annotation( "Europe PMC") "PMID:26859826") AnnotationAssertion(Annotation( "Europe PMC") "PMID:29438107") AnnotationAssertion(Annotation( "Europe PMC") "PMID:9203666") AnnotationAssertion( "Patent:US4724232") AnnotationAssertion( "Wikipedia:Zidovudine") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "3'-azido-3'-deoxythymidine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "AZT") AnnotationAssertion(Annotation( "ChemIDplus") "Azidothymidine") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "Retrovir") AnnotationAssertion(Annotation( "ChemIDplus") "Zidovudin") AnnotationAssertion(Annotation( "ChemIDplus") "Zidovudinum") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "zidovudine") AnnotationAssertion( "CHEBI:10110") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "zidovudine") SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (zileuton) AnnotationAssertion( "A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogen at position 2 is replaced by a 1-[carbamoyl(hydroxy)amino]ethyl group. A selective 5-lipoxygenase inhibitor, it inhibits the formation of leukotrienes LTB4, LTC4, LDT4, and LTE4. It is used for the management of chronic asthma.") AnnotationAssertion( "0") AnnotationAssertion( "C11H12N2O2S") AnnotationAssertion( "InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)") AnnotationAssertion( "MWLSOWXNZPKENC-UHFFFAOYSA-N") AnnotationAssertion( "236.29126") AnnotationAssertion( "236.06195") AnnotationAssertion( "CC(N(O)C(N)=O)c1cc2ccccc2s1") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:111406-87-2") AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:111406-87-2") AnnotationAssertion( "DrugBank:DB00744") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2862") AnnotationAssertion( "KEGG:D00414") AnnotationAssertion( "LINCS:LSM-5084") AnnotationAssertion(Annotation( "Europe PMC") "PMID:19309543") AnnotationAssertion(Annotation( "Europe PMC") "PMID:19645854") AnnotationAssertion(Annotation( "Europe PMC") "PMID:20204486") AnnotationAssertion(Annotation( "Europe PMC") "PMID:20436887") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:4869674") AnnotationAssertion( "Wikipedia:Zileuton") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-[1-(1-benzothien-2-yl)ethyl]-1-hydroxyurea") AnnotationAssertion(Annotation( "KEGG_DRUG") "Zileuton") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "(+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea") AnnotationAssertion(Annotation( "ChemIDplus") "Leutrol") AnnotationAssertion(Annotation( "ChemIDplus") "N-(1-Benzo(b)thien-2-ylethyl)-N-hydroxyurea") AnnotationAssertion(Annotation( "ChEBI") "N-[1-(benzo[b]thiophen-2-yl)ethyl]-N-hydroxyurea") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "Zyflo") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "zileuton") AnnotationAssertion(Annotation( "WHO_MedNet") Annotation( ) "zileuton") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "zileutonum") AnnotationAssertion( "CHEBI:10112") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "zileuton") SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (ziprasidone) AnnotationAssertion( "A piperazine compound having 1,2-benzothiazol-3-yl- and 2-(6-chloro-1,3-dihydro-2-oxindol-5-yl)ethyl substituents attached to the nitrogen atoms.") AnnotationAssertion( "0") AnnotationAssertion( "C21H21ClN4OS") AnnotationAssertion( "InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)") AnnotationAssertion( "MVWVFYHBGMAFLY-UHFFFAOYSA-N") AnnotationAssertion( "412.93600") AnnotationAssertion( "412.11246") AnnotationAssertion( "Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:6669199") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:146939-27-7") AnnotationAssertion(Annotation( "DrugBank") "CAS:146939-27-7") AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:146939-27-7") AnnotationAssertion( "DrugBank:DB00246") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2865") AnnotationAssertion( "KEGG:C07568") AnnotationAssertion( "KEGG:D08687") AnnotationAssertion( "LINCS:LSM-5433") AnnotationAssertion( "Patent:EP281309") AnnotationAssertion( "Patent:US4831031") AnnotationAssertion( "Wikipedia:Ziprasidone") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "5-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-1,3-dihydro-2H-indol-2-one") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Ziprasidone") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "ziprasidona") AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "ziprasidone") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "ziprasidone") AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "ziprasidonum") AnnotationAssertion( "CHEBI:10119") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "ziprasidone") SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (zolmitriptan) AnnotationAssertion( "A member of the class of tryptamines that is N,N-dimethyltryptamine in which the hydrogen at position 5 of the indole ring has been replaced by a [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl group. A serotonin 5-HT1 B and D receptor agonist, it is used for the treatment of migraine.") AnnotationAssertion( "0") AnnotationAssertion( "C16H21N3O2") AnnotationAssertion( "InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1") AnnotationAssertion( "ULSDMUVEXKOYBU-ZDUSSCGKSA-N") AnnotationAssertion( "287.357") AnnotationAssertion( "287.16338") AnnotationAssertion( "C1=C2C(=CNC2=CC=C1C[C@@H]3NC(=O)OC3)CCN(C)C") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:7415010") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:139264-17-8") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:139264-17-8") AnnotationAssertion( "DrugBank:DB00315") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2869") AnnotationAssertion( "KEGG:C07218") AnnotationAssertion( "KEGG:D00415") AnnotationAssertion( "LINCS:LSM-3208") AnnotationAssertion( "Wikipedia:Zolmitriptan") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(4S)-4-({3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "311C90") AnnotationAssertion(Annotation( "IUPHAR") "4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methyl]oxazolidin-2-one") AnnotationAssertion(Annotation( "DrugCentral") Annotation( ) "Zipton") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "Zomig") AnnotationAssertion(Annotation( "DrugCentral") Annotation( ) "Zomigoro") AnnotationAssertion(Annotation( "DrugCentral") Annotation( ) "Zominat") AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "zolmitriptan") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "zolmitriptan") AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "zolmitriptanum") AnnotationAssertion( "CHEBI:10124") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "zolmitriptan") SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (zolpidem) AnnotationAssertion( "An imidazo[1,2-a]pyridine compound having a 4-tolyl group at the 2-position, an N,N-dimethylcarbamoylmethyl group at the 3-position and a methyl substituent at the 6-position.") AnnotationAssertion( "0") AnnotationAssertion( "C19H21N3O") AnnotationAssertion( "InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3") AnnotationAssertion( "ZAFYATHCZYHLPB-UHFFFAOYSA-N") AnnotationAssertion( "307.38950") AnnotationAssertion( "307.16846") AnnotationAssertion( "CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:4355785") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:82626-48-0") AnnotationAssertion(Annotation( "DrugBank") "CAS:82626-48-0") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:82626-48-0") AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:82626-48-0") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:82626-48-0") AnnotationAssertion( "DrugBank:DB00425") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2870") AnnotationAssertion( "KEGG:C07219") AnnotationAssertion( "KEGG:D08690") AnnotationAssertion( "LINCS:LSM-5560") AnnotationAssertion( "Patent:EP50563") AnnotationAssertion( "Patent:US4382938") AnnotationAssertion( "Wikipedia:Zolpidem") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "N,N,6-Trimethyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine-3-acetamide") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "zolpidem") AnnotationAssertion(Annotation( "DrugBank") Annotation( ) "zolpidemum") AnnotationAssertion( "CHEBI:10125") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "zolpidem") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (zonisamide) AnnotationAssertion( "A 1,2-benzoxazole compound having a sulfamoylmethyl substituent at the 3-position.") AnnotationAssertion( "0") AnnotationAssertion( "C8H8N2O3S") AnnotationAssertion( "InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)") AnnotationAssertion( "UBQNRHZMVUUOMG-UHFFFAOYSA-N") AnnotationAssertion( "212.22600") AnnotationAssertion( "212.02556") AnnotationAssertion( "NS(=O)(=O)Cc1noc2ccccc12") AnnotationAssertion( "CHEBI:139857") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1077076") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:68291-97-4") AnnotationAssertion(Annotation( "DrugBank") "CAS:68291-97-4") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:68291-97-4") AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:68291-97-4") AnnotationAssertion( "DrugBank:DB00909") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2872") AnnotationAssertion( "KEGG:C07504") AnnotationAssertion( "KEGG:D00538") AnnotationAssertion( "LINCS:LSM-3062") AnnotationAssertion( "Patent:JP7877057") AnnotationAssertion( "Patent:US4172896") AnnotationAssertion( "Wikipedia:Zonisamide") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-(1,2-benzisoxazol-3-yl)methanesulfonamide") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1,2-Benzisoxazole-3-methanesulfonamide") AnnotationAssertion(Annotation( "ChemIDplus") "3-(Sulfamoylmethyl)-1,2-benzisoxazole") AnnotationAssertion(Annotation( "ChEMBL") "Benzo[d]isoxazol-3-yl-methanesulfonamide") AnnotationAssertion(Annotation( "DrugBank") Annotation( ) "zonisamida") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "zonisamide") AnnotationAssertion(Annotation( "DrugBank") Annotation( ) "zonisamidum") AnnotationAssertion( "CHEBI:10127") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "zonisamide") SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (diltiazem) AnnotationAssertion( "A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension.") AnnotationAssertion( "0") AnnotationAssertion( "C22H26N2O4S") AnnotationAssertion( "InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1") AnnotationAssertion( "HSUGRBWQSSZJOP-RTWAWAEBSA-N") AnnotationAssertion( "414.51800") AnnotationAssertion( "414.16133") AnnotationAssertion( "COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O") AnnotationAssertion( "CHEBI:4602") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3573079") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:42399-41-7") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:42399-41-7") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:42399-41-7") AnnotationAssertion( "DrugBank:DB00343") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:897") AnnotationAssertion( "HMDB:HMDB0014487") AnnotationAssertion( "KEGG:C06958") AnnotationAssertion( "KEGG:D07845") AnnotationAssertion( "LINCS:LSM-2523") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11937779") AnnotationAssertion(Annotation( "Europe PMC") "PMID:16651034") AnnotationAssertion(Annotation( "Europe PMC") "PMID:19167257") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23687551") AnnotationAssertion(Annotation( "Europe PMC") "PMID:24261918") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25122162") AnnotationAssertion(Annotation( "Europe PMC") "PMID:8369596") AnnotationAssertion( "Patent:DE1805714") AnnotationAssertion( "Patent:DE3415035") AnnotationAssertion( "Patent:US3562257") AnnotationAssertion( "Patent:US4552695") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:3573079") AnnotationAssertion( "VSDB:1863") AnnotationAssertion( "Wikipedia:Diltiazem") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "(+)-cis-5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester") AnnotationAssertion(Annotation( "ChEMBL") "(2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate") AnnotationAssertion(Annotation( "ChEBI") "(2S-cis)-3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one") AnnotationAssertion(Annotation( "ChEMBL") "Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester") AnnotationAssertion(Annotation( "ChEBI") "D-cis-diltiazem") AnnotationAssertion(Annotation( "ChEBI") "d-cis-diltiazem") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "diltiazem") AnnotationAssertion(Annotation( "WHO_MedNet") Annotation( ) "diltiazem") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "diltiazemum") AnnotationAssertion( "CHEBI:101278") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "diltiazem") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (gemifloxacin) AnnotationAssertion( "A 1,4-dihydro-1,8-naphthyridine with a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a substituted pyrrolin-1-yl group at the 7-position.") AnnotationAssertion( "0") AnnotationAssertion( "C18H20FN5O4") AnnotationAssertion( "InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+") AnnotationAssertion( "ZRCVYEYHRGVLOC-HYARGMPZSA-N") AnnotationAssertion( "389.38090") AnnotationAssertion( "389.14993") AnnotationAssertion( "CO\\N=C1/CN(CC1CN)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:8361408") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:175463-14-6") AnnotationAssertion(Annotation( "DrugBank") "CAS:175463-14-6") AnnotationAssertion( "DrugBank:DB01155") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:1286") AnnotationAssertion( "KEGG:D08012") AnnotationAssertion( "Patent:EP688772") AnnotationAssertion( "Patent:US5633262") AnnotationAssertion( "Wikipedia:Gemifloxacin") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "7-[3-(aminomethyl)-4-(methoxyimino)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "gemifloxacin") AnnotationAssertion( "CHEBI:101853") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "gemifloxacin") SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (sulfamerazine) AnnotationAssertion( "A sulfonamide consisting of pyrimidine with a methyl substituent at the 4-position and a 4-aminobenzenesulfonamido group at the 2-position.") AnnotationAssertion( "0") AnnotationAssertion( "C11H12N4O2S") AnnotationAssertion( "InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)") AnnotationAssertion( "QPPBRPIAZZHUNT-UHFFFAOYSA-N") AnnotationAssertion( "264.30400") AnnotationAssertion( "264.06810") AnnotationAssertion( "Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:249133") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:127-79-7") AnnotationAssertion(Annotation( "DrugBank") "CAS:127-79-7") AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:127-79-7") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:127-79-7") AnnotationAssertion( "DrugBank:DB01581") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2510") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:219949") AnnotationAssertion( "KEGG:D02435") AnnotationAssertion( "LINCS:LSM-5979") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11431418") AnnotationAssertion(Annotation( "Europe PMC") "PMID:13037579") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23627444") AnnotationAssertion(Annotation( "Europe PMC") "PMID:2434548") AnnotationAssertion(Annotation( "Europe PMC") "PMID:24508883") AnnotationAssertion(Annotation( "ChEMBL") "PMID:6864729") AnnotationAssertion( "Patent:US2407966") AnnotationAssertion( "Wikipedia:Sulfamerazine") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "(p-Aminobenzolsulfonyl)-2-amino-4-methylpyrimidin") AnnotationAssertion(Annotation( "ChemIDplus") "2-(4-Aminobenzenesulfonamido)-4-methylpyrimidine") AnnotationAssertion(Annotation( "ChemIDplus") "2-(Sulfanilamido)-4-methylpyrimidine") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "2-(p-Aminobenzolsulfonamido)-4-methylpyrimidine") AnnotationAssertion(Annotation( "ChemIDplus") "2-Sulfa-4-methylpyrimidine") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "4-Amino-N-(4-methyl-2-pyrimidinyl)-benzenesulfonamide") AnnotationAssertion(Annotation( "ChemIDplus") "N(1)-(4-Methyl-2-pyrimidinyl)sulfanilamide") AnnotationAssertion(Annotation( "ChemIDplus") "N-(4-Methyl-2-pyrimidyl)sulfanilamide") AnnotationAssertion(Annotation( "ChemIDplus") "Sulfamethyldiazine") AnnotationAssertion(Annotation( "ChemIDplus") "Sulphamerazine") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "sulfamerazina") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "sulfamerazine") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "sulfamerazinum") AnnotationAssertion( "CHEBI:102130") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "sulfamerazine") SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (thiopental) AnnotationAssertion( "A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups.") AnnotationAssertion( "0") AnnotationAssertion( "C11H18N2O2S") AnnotationAssertion( "InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)") AnnotationAssertion( "IUJDSEJGGMCXSG-UHFFFAOYSA-N") AnnotationAssertion( "242.33800") AnnotationAssertion( "242.10890") AnnotationAssertion( "CCCC(C)C1(CC)C(=O)NC(=S)NC1=O") AnnotationAssertion( "CHEBI:9560") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:209361") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:76-75-5") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:76-75-5") AnnotationAssertion( "DrugBank:DB00599") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2633") AnnotationAssertion( "KEGG:C07521") AnnotationAssertion(Annotation( "Europe PMC") "PMID:10666006") AnnotationAssertion(Annotation( "ChEMBL") "PMID:10841799") AnnotationAssertion(Annotation( "ChEMBL") "PMID:15857133") AnnotationAssertion(Annotation( "Europe PMC") "PMID:16166909") AnnotationAssertion(Annotation( "Europe PMC") "PMID:16897573") AnnotationAssertion(Annotation( "Europe PMC") "PMID:18484074") AnnotationAssertion(Annotation( "Europe PMC") "PMID:20488867") AnnotationAssertion(Annotation( "Europe PMC") "PMID:2215478") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23305916") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23422796") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23490495") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23542731") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23644730") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23879844") AnnotationAssertion(Annotation( "Europe PMC") "PMID:3654008") AnnotationAssertion(Annotation( "ChEMBL") "PMID:6864729") AnnotationAssertion(Annotation( "ChEMBL") "PMID:9171876") AnnotationAssertion(Annotation( "Europe PMC") "PMID:9699097") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:209361") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "5-ethyl-5-(pentan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Thiopental") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "(+-)-thiopental") AnnotationAssertion(Annotation( "ChemIDplus") "2-Thio-5-ethyl-5-sec-pentylbarbituric acid") AnnotationAssertion(Annotation( "ChEMBL") "5-Ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione") AnnotationAssertion(Annotation( "ChemIDplus") "Penthiobarbital") AnnotationAssertion(Annotation( "ChemIDplus") "Pentothiobarbital") AnnotationAssertion(Annotation( "ChemIDplus") "Thiopentobarbital") AnnotationAssertion(Annotation( "ChemIDplus") "Thiopentobarbitone") AnnotationAssertion(Annotation( "ChemIDplus") "Thiopentobarbituric acid") AnnotationAssertion(Annotation( "ChemIDplus") "Thiopentone") AnnotationAssertion( "CHEBI:102166") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "thiopental") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (cedrol) AnnotationAssertion( "0") AnnotationAssertion( "C15H26O") AnnotationAssertion( "InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1") AnnotationAssertion( "SVURIXNDRWRAFU-OGMFBOKVSA-N") AnnotationAssertion( "222.36630") AnnotationAssertion( "222.19837") AnnotationAssertion( "[H][C@@]12CC[C@@H](C)[C@@]11CC[C@@](C)(O)[C@H](C1)C2(C)C") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:2206347") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:77-53-2") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:77-53-2") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:77-53-2") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:605974") AnnotationAssertion( "KEGG:C09631") AnnotationAssertion( "KNApSAcK:C00003112") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(8R)-cedran-8-ol") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Cedrol") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "(+)-cedrol") AnnotationAssertion(Annotation( "IUPAC") "8betaH-cedran-8-ol") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "[3R-(3alpha,3abeta,6alpha,7beta,8aalpha)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-ol") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "alpha-cedrol") AnnotationAssertion( "CHEBI:10217") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "cedrol") SubClassOf( ) SubClassOf( ) # Class: (methohexital) AnnotationAssertion( "A barbiturate, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by allyl and 1-methylpent-2-ynyl groups.") AnnotationAssertion( "0") AnnotationAssertion( "C14H18N2O3") AnnotationAssertion( "InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)") AnnotationAssertion( "NZXKDOXHBHYTKP-UHFFFAOYSA-N") AnnotationAssertion( "262.30430") AnnotationAssertion( "262.13174") AnnotationAssertion( "CCC#CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O") AnnotationAssertion( "CHEBI:6833") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:89964") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:151-83-7") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:151-83-7") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:151-83-7") AnnotationAssertion( "DrugBank:DB00474") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:1748") AnnotationAssertion( "KEGG:C07844") AnnotationAssertion( "KEGG:D04985") AnnotationAssertion(Annotation( "Europe PMC") "PMID:13919899") AnnotationAssertion(Annotation( "Europe PMC") "PMID:20045848") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22330701") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22914630") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22914634") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23164727") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23399487") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23422530") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23813116") AnnotationAssertion(Annotation( "Europe PMC") "PMID:3654008") AnnotationAssertion(Annotation( "ChEMBL") "PMID:6864729") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:89964") AnnotationAssertion( "Wikipedia:Methohexital") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-methyl-5-(1-methylpent-2-yn-1-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Methohexital") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "(+-)-5-allyl-1-methyl-5-(1-methyl-2-pentynyl)barbituric acid") AnnotationAssertion(Annotation( "ChEMBL") "5-Allyl-1-methyl-5-(1-methyl-pent-2-ynyl)-pyrimidine-2,4,6-trione") AnnotationAssertion(Annotation( "ChemIDplus") "5-Allyl-5-(3-hexyn-2-yl)-1-methylbarbituric acid") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "5-allyl-1-methyl-5-(1-methyl-2-pentynyl)-2,4,6(1H,3H,5H)-pyrimidinetrione") AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "Methohexital") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Methohexitalum") AnnotationAssertion(Annotation( "ChemIDplus") "Methohexitone") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Metohexital") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "alpha-DL-1-methyl-5-allyl-5-(1'-methylpentyn-2-yl)barbituric acid") AnnotationAssertion( "CHEBI:102216") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "methohexital") SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (sulfamethazine) AnnotationAssertion( "A sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position.") AnnotationAssertion( "0") AnnotationAssertion( "C12H14N4O2S") AnnotationAssertion( "InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)") AnnotationAssertion( "ASWVTGNCAZCNNR-UHFFFAOYSA-N") AnnotationAssertion( "278.33000") AnnotationAssertion( "278.08375") AnnotationAssertion( "Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:261304") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:57-68-1") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:57-68-1") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:57-68-1") AnnotationAssertion( "DrugBank:DB01582") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2502") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1009759") AnnotationAssertion( "HMDB:HMDB0015522") AnnotationAssertion( "KEGG:C19530") AnnotationAssertion( "KEGG:D02436") AnnotationAssertion( "LINCS:LSM-5295") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11431418") AnnotationAssertion(Annotation( "ChEMBL") "PMID:14552772") AnnotationAssertion(Annotation( "ChEMBL") "PMID:15603963") AnnotationAssertion(Annotation( "ChEMBL") "PMID:17311370") AnnotationAssertion(Annotation( "Europe PMC") "PMID:17596632") AnnotationAssertion(Annotation( "Europe PMC") "PMID:20028131") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22903812") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23218311") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23384282") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23434485") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23454458") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23562141") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23636590") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23673752") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23673946") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23704574") AnnotationAssertion(Annotation( "ChEMBL") "PMID:6864729") AnnotationAssertion(Annotation( "ChEMBL") "PMID:7021831") AnnotationAssertion(Annotation( "Europe PMC") "PMID:7328159") AnnotationAssertion(Annotation( "Europe PMC") "PMID:8199304") AnnotationAssertion(Annotation( "Europe PMC") "PMID:9886437") AnnotationAssertion( "Patent:EP1861101") AnnotationAssertion( "Patent:GB546158") AnnotationAssertion( "Patent:GB552887") AnnotationAssertion( "Patent:US2407966") AnnotationAssertion( "Patent:US3119818") AnnotationAssertion( "Patent:WO2005016386") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:261304") AnnotationAssertion( "VSDB:1829") AnnotationAssertion( "Wikipedia:Sulfadimidine") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "(p-Aminobenzolsulfonyl)-2-amino-4,6-dimethylpyrimidin") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine") AnnotationAssertion(Annotation( "ChemIDplus") "2-(p-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine") AnnotationAssertion(Annotation( "ChemIDplus") "2-Sulfanilamido-4,6-dimethylpyrimidine") AnnotationAssertion(Annotation( "ChemIDplus") "4,6-Dimethyl-2-sulfanilamidopyrimidine") AnnotationAssertion(Annotation( "ChemIDplus") "4-Amino-N-(2,6-dimethyl-4-pyrimidinyl)benzenesulfonamide") AnnotationAssertion(Annotation( "ChEMBL") "4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamide") AnnotationAssertion(Annotation( "ChEMBL") "4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide") AnnotationAssertion(Annotation( "ChemIDplus") "6-(4'-Aminobenzol-sulfonamido)-2,4-dimethylpyrimidin") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "N(1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "N(1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "N-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide") AnnotationAssertion(Annotation( "ChEBI") "SMZ") AnnotationAssertion(Annotation( "ChemIDplus") "Sulfadimethyldiazine") AnnotationAssertion(Annotation( "ChemIDplus") "Sulfadimethylpyrimidine") AnnotationAssertion(Annotation( "ChemIDplus") "Sulfametazina") AnnotationAssertion(Annotation( "ChemIDplus") "Sulfametazyny") AnnotationAssertion(Annotation( "ChemIDplus") "Sulfamezathine") AnnotationAssertion(Annotation( "ChemIDplus") "Sulphadimethylpyrimidine") AnnotationAssertion(Annotation( "ChemIDplus") "Sulphamethazine") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "sulfadimidina") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "sulfadimidine") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "sulfadimidinum") AnnotationAssertion(Annotation( "ChEBI") "sulfamethazone") AnnotationAssertion( "CHEBI:102265") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "sulfamethazine") SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (sulfisoxazole) AnnotationAssertion( "A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms.") AnnotationAssertion( "0") AnnotationAssertion( "C11H13N3O3S") AnnotationAssertion( "InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3") AnnotationAssertion( "NHUHCSRWZMLRLA-UHFFFAOYSA-N") AnnotationAssertion( "267.30400") AnnotationAssertion( "267.06776") AnnotationAssertion( "Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C") AnnotationAssertion( "CHEBI:9343") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:263871") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:127-69-5") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:127-69-5") AnnotationAssertion( "DrugBank:DB00263") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2529") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:864477") AnnotationAssertion( "KEGG:C07318") AnnotationAssertion( "KEGG:D00450") AnnotationAssertion( "LINCS:LSM-3120") AnnotationAssertion(Annotation( "Europe PMC") "PMID:1861917") AnnotationAssertion(Annotation( "Europe PMC") "PMID:4960234") AnnotationAssertion(Annotation( "Europe PMC") "PMID:7356572") AnnotationAssertion( "Patent:US2430094") AnnotationAssertion( "Wikipedia:Sulfisoxazole") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "4-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "3,4-Dimethyl-5-sulfanilamidoisoxazole") AnnotationAssertion(Annotation( "ChemIDplus") "3,4-Dimethyl-5-sulfonamidoisoxazole") AnnotationAssertion(Annotation( "ChemIDplus") "3,4-Dimethyl-5-sulphanilamidoisoxazole") AnnotationAssertion(Annotation( "ChemIDplus") "3,4-Dimethyl-5-sulphonamidoisoxazole") AnnotationAssertion(Annotation( "ChemIDplus") "3,4-Dimethylisoxazole-5-sulfanilamide") AnnotationAssertion(Annotation( "ChemIDplus") "3,4-Dimethylisoxazole-5-sulphanilamide") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide") AnnotationAssertion(Annotation( "ChemIDplus") "4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulphonamide") AnnotationAssertion(Annotation( "ChemIDplus") "5-(4-Aminophenylsulfonamido)-3,4-dimethylisoxazole") AnnotationAssertion(Annotation( "ChemIDplus") "5-(p-Aminobenzenesulfonamido)-3,4-dimethylisoxazole") AnnotationAssertion(Annotation( "ChemIDplus") "5-(p-Aminobenzenesulphonamido)-3,4-dimethylisoxazole") AnnotationAssertion(Annotation( "ChemIDplus") "5-Sulfanilamido-3,4-dimethylisoxazole") AnnotationAssertion(Annotation( "ChemIDplus") "5-Sulphanilamido-3,4-dimethyl-isoxazole") AnnotationAssertion(Annotation( "ChemIDplus") "N'-(3,4)Dimethylisoxazol-5-yl-sulphanilamide") AnnotationAssertion(Annotation( "ChemIDplus") "N(1)-(3,4-dimethyl-5-isoxazolyl)sulfanilamide") AnnotationAssertion(Annotation( "ChemIDplus") "N(1)-(3,4-dimethyl-5-isoxazolyl)sulphanilamide") AnnotationAssertion(Annotation( "DrugBank") "Sulfadimethylisoxazole") AnnotationAssertion(Annotation( "DrugBank") "Sulfafurazol") AnnotationAssertion(Annotation( "DrugBank") "Sulfaisoxazole") AnnotationAssertion(Annotation( "DrugBank") "Sulfasoxazole") AnnotationAssertion(Annotation( "DrugBank") "Sulfisonazole") AnnotationAssertion(Annotation( "DrugBank") "Sulfisoxasole") AnnotationAssertion(Annotation( "DrugBank") "Sulfisoxazol") AnnotationAssertion(Annotation( "DrugBank") "Sulfofurazole") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Sulphadimethylisoxazole") AnnotationAssertion(Annotation( "DrugBank") "Sulphafurazol") AnnotationAssertion(Annotation( "DrugBank") "Sulphafurazole") AnnotationAssertion(Annotation( "DrugBank") "Sulphaisoxazole") AnnotationAssertion(Annotation( "DrugBank") "Sulphisoxazol") AnnotationAssertion(Annotation( "DrugBank") "Sulphofurazole") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "sulfafurazole") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "sulfafurazolum") AnnotationAssertion( "CHEBI:102484") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "sulfisoxazole") SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (sulfamethoxypyridazine) AnnotationAssertion( "A sulfonamide consisting of pyridazine having a methoxy substituent at the 6-position and a 4-aminobenzenesulfonamido group at the 3-position.") AnnotationAssertion( "0") AnnotationAssertion( "C11H12N4O3S") AnnotationAssertion( "InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)") AnnotationAssertion( "VLYWMPOKSSWJAL-UHFFFAOYSA-N") AnnotationAssertion( "280.304") AnnotationAssertion( "280.06301") AnnotationAssertion( "C1=CC(=CC=C1N)S(NC2=NN=C(C=C2)OC)(=O)=O") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:277076") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:80-35-3") AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:80-35-3") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:80-35-3") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2515") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1443440") AnnotationAssertion( "KEGG:D02439") AnnotationAssertion( "LINCS:LSM-5204") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11431418") AnnotationAssertion(Annotation( "Europe PMC") "PMID:13363378") AnnotationAssertion(Annotation( "Europe PMC") "PMID:13488278") AnnotationAssertion(Annotation( "Europe PMC") "PMID:13521763") AnnotationAssertion(Annotation( "Europe PMC") "PMID:13559967") AnnotationAssertion(Annotation( "Europe PMC") "PMID:13583950") AnnotationAssertion(Annotation( "Europe PMC") "PMID:13615757") AnnotationAssertion(Annotation( "Europe PMC") "PMID:13635077") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23183348") AnnotationAssertion(Annotation( "ChEMBL") "PMID:6864729") AnnotationAssertion(Annotation( "Europe PMC") "PMID:7486915") AnnotationAssertion( "Patent:US2712012") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:277076") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "3-(4-Aminobenzenesulfonamido)-6-methoxypyridazine") AnnotationAssertion(Annotation( "ChemIDplus") "3-(p-Aminobenzenesulfamido)-6-methoxypyridazine") AnnotationAssertion(Annotation( "ChemIDplus") "3-Methoxy-6-sulfanylamidopyridazine") AnnotationAssertion(Annotation( "ChemIDplus") "3-Sulfa-6-methoxypyridazine") AnnotationAssertion(Annotation( "ChemIDplus") "3-Sulfanilamide-6-methoxypyridazine") AnnotationAssertion(Annotation( "ChemIDplus") "3-Sulfanilamido-6-methoxypyridazine") AnnotationAssertion(Annotation( "ChemIDplus") "3-p-Aminobenzenesulphonamido-6-methoxypyridazine") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "4-Amino-N-(6-methoxy-3-pyridazinyl)-benzenesulfonamide") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "6-Methoxy-3-pyridazinylsulfanilamide") AnnotationAssertion(Annotation( "ChemIDplus") "6-Methoxy-3-sulfanilamidopyridazine") AnnotationAssertion(Annotation( "ChemIDplus") "6-Sulfanilamido-3-methoxypyridazine") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "N(1)-(6-Methoxy-3-pyridazinyl)sulfanilamide") AnnotationAssertion(Annotation( "ChemIDplus") "Solfametossipiridazina") AnnotationAssertion(Annotation( "ChemIDplus") "Sulfametoxipiridazine") AnnotationAssertion(Annotation( "ChemIDplus") "Sulphamethoxypyridazine") AnnotationAssertion(Annotation( "ChEBI") "sulfamethoxipyridazine") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "sulfamethoxypyridazine") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "sulfamethoxypyridazinum") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "sulfametoxipiridazina") AnnotationAssertion( "CHEBI:102516") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "sulfamethoxypyridazine") SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (butalbital) AnnotationAssertion( "A member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by an allyl group and an isobutyl group. Frequently combined with other medicines, such as aspirin, paracetamol and codeine, it is used for treatment of pain and headache.") AnnotationAssertion( "0") AnnotationAssertion( "C11H16N2O3") AnnotationAssertion( "InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)") AnnotationAssertion( "UZVHFVZFNXBMQJ-UHFFFAOYSA-N") AnnotationAssertion( "224.25630") AnnotationAssertion( "224.11609") AnnotationAssertion( "CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:202119") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:77-26-9") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:77-26-9") AnnotationAssertion( "DrugBank:DB00241") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:441") AnnotationAssertion( "HMDB:HMDB0014386") AnnotationAssertion( "KEGG:D03182") AnnotationAssertion( "LINCS:LSM-5793") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23682958") AnnotationAssertion(Annotation( "Europe PMC") "PMID:24400754") AnnotationAssertion(Annotation( "ChEMBL") "PMID:6864729") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:202119") AnnotationAssertion( "Wikipedia:Butalbital") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "5-(2-methylpropyl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione") AnnotationAssertion(Annotation( "ChEMBL") "5-Allyl-5-isobutyl-pyrimidine-2,4,6-trione") AnnotationAssertion(Annotation( "ChemIDplus") "5-allyl-5-(2'-methyl-n-propyl) barbituric acid") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "5-allyl-5-(2-methylpropyl)barbituric acid") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "5-allyl-5-isobutyl-2,4,6(1H,3H,5H)-pyrimidinetrione") AnnotationAssertion(Annotation( "ChemIDplus") "5-allyl-5-isobutylbarbituric acid") AnnotationAssertion(Annotation( "ChEBI") "5-isobutyl-5-allylbarbituric acid") AnnotationAssertion(Annotation( "ChemIDplus") "allylbarbital") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "allylbarbitone") AnnotationAssertion(Annotation( "ChemIDplus") "allylbarbituric acid") AnnotationAssertion(Annotation( "ChemIDplus") "butalbarbital") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "butalbital") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "butalbitalum") AnnotationAssertion(Annotation( "ChemIDplus") "iso-butylallylbarbituric acid") AnnotationAssertion(Annotation( "ChemIDplus") "itobarbital") AnnotationAssertion(Annotation( "ChemIDplus") "tetrallobarbital") AnnotationAssertion( "CHEBI:102524") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "butalbital") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (alpha-ergocryptine) AnnotationAssertion( "Ergotaman bearing hydroxy, isopropyl, and 2-methylpropyl groups at the 12', 2' and 5' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid. Ergocryptine discussed in the literature prior to 1967, when beta-ergocryptine was separated from alpha-ergocryptine, is now referred to as alpha-ergocryptine.") AnnotationAssertion( "0") AnnotationAssertion( "C32H41N5O5") AnnotationAssertion( "InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1") AnnotationAssertion( "YDOTUXAWKBPQJW-NSLWYYNWSA-N") AnnotationAssertion( "575.69840") AnnotationAssertion( "575.31077") AnnotationAssertion( "[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](CC(C)C)C(=O)N5CCC[C@@]25[H])C1=O)C(C)C)c34") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:78810") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:511-09-1") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:511-09-1") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:885") AnnotationAssertion( "KEGG:C07545") AnnotationAssertion( "KNApSAcK:C00001721") AnnotationAssertion( "LINCS:LSM-3664") AnnotationAssertion( "Patent:US2447214") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "12'-hydroxy-5'alpha-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "alpha-Ergocryptine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "12'-hydroxy-2'-(1-methylethyl)-5'alpha-(2-methylpropyl)ergotaman-3',6',18-trione") AnnotationAssertion(Annotation( "ChemIDplus") "12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione") AnnotationAssertion( "CHEBI:10276") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "alpha-ergocryptine") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) # Class: (alpha-Methyl-m-tyramine) AnnotationAssertion( "0") AnnotationAssertion( "C9H13NO") AnnotationAssertion( "InChI=1S/C9H13NO/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6-7,11H,5,10H2,1H3") AnnotationAssertion( "WTDGMHYYGNJEKQ-UHFFFAOYSA-N") AnnotationAssertion( "151.206") AnnotationAssertion( "151.09971") AnnotationAssertion( "CC(N)Cc1cccc(O)c1") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:1075-61-2") AnnotationAssertion(Annotation( "DrugCentral") "CAS:18840-47-6") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:1290") AnnotationAssertion( "KEGG:C11776") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "alpha-Methyl-m-tyramine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Gepefrine") AnnotationAssertion(Annotation( "DrugCentral") "d-alpha-Methyl-m-tyramine") AnnotationAssertion( "CHEBI:10302") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "alpha-Methyl-m-tyramine") SubClassOf( ) # Class: (1-naphthol) AnnotationAssertion( "A naphthol carrying a hydroxy group at position 1.") AnnotationAssertion( "0") AnnotationAssertion( "C10H8O") AnnotationAssertion( "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H") AnnotationAssertion( "KJCVRFUGPWSIIH-UHFFFAOYSA-N") AnnotationAssertion( "144.16992") AnnotationAssertion( "144.05751") AnnotationAssertion( "Oc1cccc2ccccc12") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1817321") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:90-15-3") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:90-15-3") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:90-15-3") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:69192") AnnotationAssertion( "HMDB:HMDB0012138") AnnotationAssertion( "KEGG:C11714") AnnotationAssertion( "MetaCyc:NAPHTHOL") AnnotationAssertion( "PDBeChem:1NP") AnnotationAssertion(Annotation( "Europe PMC") "PMID:16721410") AnnotationAssertion(Annotation( "Europe PMC") "PMID:18966375") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22740618") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1817321") AnnotationAssertion( "Wikipedia:1-Naphthol") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "1-Naphthol") AnnotationAssertion(Annotation( "UniProt") "1-naphthol") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "naphthalen-1-ol") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "HMDB") "1-hydroxynaphthalene") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "1-naphthalenol") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "alpha-Naphthol") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "alpha-hydroxynaphthalene") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "alpha-naphthol") AnnotationAssertion( "CHEBI:10319") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "1-naphthol") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (alpha-terpinene) AnnotationAssertion( "One of three isomeric monoterpenes differing in the positions of their two double bonds (beta- and gamma-terpinene being the others). In alpha-terpinene the double bonds are at the 1- and 3-positions of the p-menthane skeleton.") AnnotationAssertion( "0") AnnotationAssertion( "C10H16") AnnotationAssertion( "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3") AnnotationAssertion( "YHQGMYUVUMAZJR-UHFFFAOYSA-N") AnnotationAssertion( "136.23404") AnnotationAssertion( "136.12520") AnnotationAssertion( "CC(C)C1=CC=C(C)CC1") AnnotationAssertion( "BPDB:2014") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1853379") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:99-86-5") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:99-86-5") AnnotationAssertion( "HMDB:HMDB0036995") AnnotationAssertion( "KEGG:C09898") AnnotationAssertion( "KNApSAcK:C00003060") AnnotationAssertion(Annotation( "LIPID MAPS") "LIPID_MAPS_instance:LMPR0102090026") AnnotationAssertion(Annotation( "Europe PMC") "PMID:15621337") AnnotationAssertion(Annotation( "Europe PMC") "PMID:16780354") AnnotationAssertion(Annotation( "Europe PMC") "PMID:20387784") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22164802") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23833899") AnnotationAssertion(Annotation( "Europe PMC") "PMID:24020201") AnnotationAssertion(Annotation( "Europe PMC") "PMID:8655097") AnnotationAssertion( "Patent:WO2010099985") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1853379") AnnotationAssertion( "Wikipedia:Terpinene") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "alpha-Terpinene") AnnotationAssertion(Annotation( "UniProt") "alpha-terpinene") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene") AnnotationAssertion(Annotation( "ChemIDplus") "1-isopropyl-4-methyl-1,3-cyclohexadiene") AnnotationAssertion(Annotation( "ChemIDplus") "Terpilene") AnnotationAssertion(Annotation( "ChemIDplus") "p-Mentha-1,3-diene") AnnotationAssertion( "CHEBI:10334") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "alpha-terpinene") SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (p-aminohippuric acid) AnnotationAssertion( "An N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow.") AnnotationAssertion( "0") AnnotationAssertion( "C9H10N2O3") AnnotationAssertion( "InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)") AnnotationAssertion( "HSMNQINEKMPTIC-UHFFFAOYSA-N") AnnotationAssertion( "194.18730") AnnotationAssertion( "194.06914") AnnotationAssertion( "Nc1ccc(cc1)C(=O)NCC(O)=O") AnnotationAssertion( "CHEBI:59134") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1216376") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:61-78-9") AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:61-78-9") AnnotationAssertion( "DrugBank:DB00345") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:165") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:848144") AnnotationAssertion( "HMDB:HMDB0001867") AnnotationAssertion( "KEGG:D06890") AnnotationAssertion( "LINCS:LSM-5739") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11060218") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11078692") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11443229") AnnotationAssertion(Annotation( "Europe PMC") "PMID:12523660") AnnotationAssertion(Annotation( "Europe PMC") "PMID:12552490") AnnotationAssertion(Annotation( "Europe PMC") "PMID:17190852") AnnotationAssertion(Annotation( "Europe PMC") "PMID:20439170") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22036005") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22273603") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22406909") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22460716") AnnotationAssertion(Annotation( "ChEMBL") "PMID:2496229") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1213676") AnnotationAssertion( "Wikipedia:Aminohippuric_Acid") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N-(4-aminobenzoyl)glycine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "SUBMITTER") "4-aminohippuric acid") AnnotationAssertion(Annotation( "KEGG_DRUG") "Aminohippuric acid") AnnotationAssertion(Annotation( "ChemIDplus") "N-(p-Aminobenzoyl)aminoacetic acid") AnnotationAssertion(Annotation( "ChemIDplus") "N-(p-Aminobenzoyl)glycine") AnnotationAssertion(Annotation( "ChemIDplus") "N-(para-aminobenzoyl)glycine") AnnotationAssertion(Annotation( "SUBMITTER") "PAH") AnnotationAssertion(Annotation( "HMDB") "Paha") AnnotationAssertion(Annotation( "SUBMITTER") "p-aminohippurate") AnnotationAssertion(Annotation( "ChemIDplus") "para-Aminohippuric acid") AnnotationAssertion(Annotation( "HMDB") "paraaminohippuric acid") AnnotationAssertion( "CHEBI:104011") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "p-aminohippuric acid") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (2-naphthol) AnnotationAssertion( "A naphthol carrying a hydroxy group at position 2.") AnnotationAssertion( "0") AnnotationAssertion( "C10H8O") AnnotationAssertion( "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H") AnnotationAssertion( "JWAZRIHNYRIHIV-UHFFFAOYSA-N") AnnotationAssertion( "144.173") AnnotationAssertion( "144.05751") AnnotationAssertion( "OC1=CC2=CC=CC=C2C=C1") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:742134") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:135-19-3") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:135-19-3") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:135-19-3") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:3370") AnnotationAssertion( "FooDB:FDB000877") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:27395") AnnotationAssertion( "HMDB:HMDB0012322") AnnotationAssertion( "KEGG:C11713") AnnotationAssertion( "MetaCyc:CPD-8131") AnnotationAssertion( "PDBeChem:03V") AnnotationAssertion(Annotation( "Europe PMC") "PMID:13386410") AnnotationAssertion(Annotation( "Europe PMC") "PMID:14751800") AnnotationAssertion(Annotation( "Europe PMC") "PMID:18515997") AnnotationAssertion(Annotation( "Europe PMC") "PMID:18856458") AnnotationAssertion(Annotation( "Europe PMC") "PMID:20260560") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22069470") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22740618") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23344974") AnnotationAssertion(Annotation( "Europe PMC") "PMID:29987264") AnnotationAssertion(Annotation( "Europe PMC") "PMID:30572877") AnnotationAssertion(Annotation( "Europe PMC") "PMID:30828382") AnnotationAssertion(Annotation( "Europe PMC") "PMID:32206945") AnnotationAssertion(Annotation( "Europe PMC") "PMID:33862438") AnnotationAssertion(Annotation( "Europe PMC") "PMID:34033865") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:742134") AnnotationAssertion( "Wikipedia:2-Naphthol") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "2-Naphthol") AnnotationAssertion(Annotation( "UniProt") "2-naphthol") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "naphthalen-2-ol") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "2-Naftol") AnnotationAssertion(Annotation( "HMDB") "2-hydroxynaphthalene") AnnotationAssertion(Annotation( "ChemIDplus") "2-naftolo") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "2-naphthalenol") AnnotationAssertion(Annotation( "ChemIDplus") "2-naphtol") AnnotationAssertion(Annotation( "HMDB") Annotation( ) "Antioxygene BN") AnnotationAssertion(Annotation( "HMDB") Annotation( ) "Azogen Developer A") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "C.I. Azoic Coupling Component 1") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "C.I. Developer 5") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Developer A") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Developer AMS") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Developer BN") AnnotationAssertion(Annotation( "ChemIDplus") "Isonaphthol") AnnotationAssertion(Annotation( "ChemIDplus") "beta-Naftol") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "beta-Naphthol") AnnotationAssertion(Annotation( "ChemIDplus") "beta-Naphtol") AnnotationAssertion(Annotation( "ChemIDplus") "beta-hydroxynaphthalene") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "beta-hydroxynaphthalene") AnnotationAssertion(Annotation( "ChemIDplus") "beta-naftolo") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "beta-naphthol") AnnotationAssertion(Annotation( "ChemIDplus") "beta-naphthyl alcohol") AnnotationAssertion(Annotation( "ChemIDplus") "beta-naphthyl hydroxide") AnnotationAssertion( "CHEBI:10432") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "2-naphthol") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (electron) AnnotationAssertion( "Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 0.000548579903(13) u, or 0.51099906(15) MeV.") AnnotationAssertion( "-1") AnnotationAssertion( "0.000548579903") AnnotationAssertion( "0.0") AnnotationAssertion( "KEGG:C05359") AnnotationAssertion(Annotation( "Europe PMC") "PMID:21614077") AnnotationAssertion( "Wikipedia:Electron") AnnotationAssertion(Annotation( "ChEBI") "electron") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "electron") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "electron") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Elektron") AnnotationAssertion(Annotation( "IUPAC") "beta") AnnotationAssertion(Annotation( "ChEBI") "beta(-)") AnnotationAssertion(Annotation( "IUPAC") "beta-particle") AnnotationAssertion(Annotation( "IUPAC") "e") AnnotationAssertion(Annotation( "UniProt") "e(-)") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "e-") AnnotationAssertion(Annotation( "IUPAC") "negatron") AnnotationAssertion( "CHEBI:10545") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "electron") SubClassOf( ) # Class: (gamma-nonanolactone) AnnotationAssertion( "0") AnnotationAssertion( "C9H16O2") AnnotationAssertion( "InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3/t8-/m0/s1") AnnotationAssertion( "OALYTRUKMRCXNH-QMMMGPOBSA-N") AnnotationAssertion( "156.222") AnnotationAssertion( "156.11503") AnnotationAssertion( "CCCCC[C@H]1CCC(=O)O1") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:104-61-0") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:57084-16-9") AnnotationAssertion( "HMDB:HMDB0031531") AnnotationAssertion( "KEGG:C08501") AnnotationAssertion( "KNApSAcK:C00001318") AnnotationAssertion(Annotation( "Europe PMC") "PMID:20809147") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "HMDB") "5-pentyloxolan-2-one") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Dihydro-5-pentyl-2(3H)-furanone") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "gamma-Nonalactone") AnnotationAssertion( "CHEBI:10575") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "gamma-nonanolactone") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) # Class: (gamma-terpinene) AnnotationAssertion( "One of three isomeric monoterpenes differing in the positions of their two double bonds (alpha- and beta-terpinene being the others). In gamma-terpinene the double bonds are at the 1- and 4-positions of the p-menthane skeleton.") AnnotationAssertion( "0") AnnotationAssertion( "C10H16") AnnotationAssertion( "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3") AnnotationAssertion( "YKFLAYDHMOASIY-UHFFFAOYSA-N") AnnotationAssertion( "136.23404") AnnotationAssertion( "136.12520") AnnotationAssertion( "CC(C)C1=CCC(C)=CC1") AnnotationAssertion( "BPDB:2013") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:99-85-4") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:99-85-4") AnnotationAssertion( "HMDB:HMDB0005806") AnnotationAssertion( "KEGG:C09900") AnnotationAssertion( "KNApSAcK:C00003061") AnnotationAssertion(Annotation( "LIPID MAPS") "LIPID_MAPS_instance:LMPR0102090027") AnnotationAssertion( "MetaCyc:CPD-8736") AnnotationAssertion(Annotation( "Europe PMC") "PMID:12696969") AnnotationAssertion(Annotation( "Europe PMC") "PMID:17314143") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22284503") AnnotationAssertion(Annotation( "Europe PMC") "PMID:24066512") AnnotationAssertion(Annotation( "Europe PMC") "PMID:24421258") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:2038347") AnnotationAssertion( "Wikipedia:Terpinene") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "gamma-Terpinene") AnnotationAssertion(Annotation( "UniProt") "gamma-terpinene") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "HMDB") "1,4-p-Menthadiene") AnnotationAssertion(Annotation( "HMDB") "1-Isopropyl-4-methyl-1,4-cyclohexadiene") AnnotationAssertion(Annotation( "HMDB") "1-Isopropyl-4-methylcyclohexa-1,4-diene") AnnotationAssertion(Annotation( "ChemIDplus") "1-Methyl-4-(1-methylethyl)-1,4-cyclohexadiene") AnnotationAssertion(Annotation( "ChEBI") "1-methyl-4-propan-2-ylcyclohexa-1,4-diene") AnnotationAssertion(Annotation( "ChemIDplus") "4-Isopropyl-1-methyl-1,4-cyclohexadiene") AnnotationAssertion(Annotation( "ChemIDplus") "Crithmene") AnnotationAssertion(Annotation( "ChemIDplus") "Moslene") AnnotationAssertion(Annotation( "ChemIDplus") "p-Mentha-1,4-diene") AnnotationAssertion( "CHEBI:10577") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "gamma-terpinene") SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (m-toluic acid) AnnotationAssertion( "A methylbenzoic acid carrying a methyl substituent at position 3.") AnnotationAssertion( "0") AnnotationAssertion( "C8H8O2") AnnotationAssertion( "InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)") AnnotationAssertion( "GPSDUZXPYCFOSQ-UHFFFAOYSA-N") AnnotationAssertion( "136.14790") AnnotationAssertion( "136.05243") AnnotationAssertion( "Cc1cccc(c1)C(O)=O") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:970526") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:99-04-7") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:99-04-7") AnnotationAssertion( "KEGG:C07211") AnnotationAssertion( "MetaCyc:CPD-8775") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11339298") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11470206") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22251573") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22451532") AnnotationAssertion(Annotation( "Europe PMC") "PMID:2489427") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:970526") AnnotationAssertion( "Wikipedia:M-Toluic_acid") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "3-methylbenzoic acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "m-Toluic Acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "3-toluic acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "beta-Bethylbenzoic acid") AnnotationAssertion(Annotation( "ChemIDplus") "beta-Methylbenzoic acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "m-Toluylic acid") AnnotationAssertion(Annotation( "ChemIDplus") "meta-Toluic acid") AnnotationAssertion( "CHEBI:10589") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "m-toluic acid") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (n-propyl gallate) AnnotationAssertion( "0") AnnotationAssertion( "C10H12O5") AnnotationAssertion( "InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3") AnnotationAssertion( "ZTHYODDOHIVTJV-UHFFFAOYSA-N") AnnotationAssertion( "212.200") AnnotationAssertion( "212.06847") AnnotationAssertion( "CCCOC(=O)c1cc(O)c(O)c(O)c1") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:121-79-9") AnnotationAssertion( "HMDB:HMDB0033835") AnnotationAssertion( "KEGG:C11155") AnnotationAssertion( "KEGG:D02382") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "n-Propyl gallate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Propyl gallate") AnnotationAssertion( "CHEBI:10607") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "n-propyl gallate") SubClassOf( ) # Class: (omega-hydroxy fatty acid) AnnotationAssertion( "Any member of the class of naturally-occurring straight-chain fatty acids n carbon atoms long with a carboxyl group at position 1 and a hydroxyl at position n (omega).") AnnotationAssertion( "CH2O3(CH2)n") AnnotationAssertion( "KEGG:C03547") AnnotationAssertion(Annotation( "Europe PMC") "PMID:13771448") AnnotationAssertion(Annotation( "Europe PMC") "PMID:16660004") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "omega-Hydroxy fatty acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "omega-hydroxy fatty acids") AnnotationAssertion( "CHEBI:10615") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "omega-hydroxy fatty acid") SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) # Class: (scyllo-inositol) AnnotationAssertion( "0") AnnotationAssertion( "C6H12O6") AnnotationAssertion( "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-") AnnotationAssertion( "CDAISMWEOUEBRE-CDRYSYESSA-N") AnnotationAssertion( "180.15588") AnnotationAssertion( "180.06339") AnnotationAssertion( "O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O") AnnotationAssertion( "CHEBI:26614") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:2206312") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:488-59-5") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:488-59-5") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:488-59-5") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:561300") AnnotationAssertion( "KEGG:C06153") AnnotationAssertion(Annotation( "Europe PMC") "PMID:24352657") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:2206312") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "scyllo-Inositol") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "scyllo-inositol") AnnotationAssertion(Annotation( "UniProt") "scyllo-inositol") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol") AnnotationAssertion(Annotation( "IUPAC") "1,3,5/2,4,6-cyclohexanehexol") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Cocositol") AnnotationAssertion(Annotation( "ChemIDplus") "Quercinitol") AnnotationAssertion(Annotation( "ChemIDplus") "Scyllitol") AnnotationAssertion( "CHEBI:10642") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "scyllo-inositol") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) # Class: (sumatriptan) AnnotationAssertion( "A sulfonamide that consists of N,N-dimethyltryptamine bearing an additional (N-methylsulfamoyl)methyl substituent at position 5. Selective agonist for a vascular 5-HT1 receptor subtype (probably a member of the 5-HT1D family). Used (in the form of its succinate salt) for the acute treatment of migraine with or without aura in adults.") AnnotationAssertion( "0") AnnotationAssertion( "C14H21N3O2S") AnnotationAssertion( "InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3") AnnotationAssertion( "KQKPFRSPSRPDEB-UHFFFAOYSA-N") AnnotationAssertion( "295.40000") AnnotationAssertion( "295.13545") AnnotationAssertion( "CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:5346011") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:103628-46-2") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:103628-46-2") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:103628-46-2") AnnotationAssertion( "DrugBank:DB00669") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2543") AnnotationAssertion( "HMDB:HMDB0005037") AnnotationAssertion( "KEGG:C07319") AnnotationAssertion( "KEGG:D00451") AnnotationAssertion( "LINCS:LSM-5618") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11045888") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11401410") AnnotationAssertion(Annotation( "Europe PMC") "PMID:12172708") AnnotationAssertion(Annotation( "Europe PMC") "PMID:12856385") AnnotationAssertion(Annotation( "Europe PMC") "PMID:12917936") AnnotationAssertion(Annotation( "Europe PMC") "PMID:15652399") AnnotationAssertion(Annotation( "Europe PMC") "PMID:16120224") AnnotationAssertion(Annotation( "Europe PMC") "PMID:16142613") AnnotationAssertion(Annotation( "Europe PMC") "PMID:17557349") AnnotationAssertion(Annotation( "Europe PMC") "PMID:18442019") AnnotationAssertion(Annotation( "Europe PMC") "PMID:19619527") AnnotationAssertion(Annotation( "Europe PMC") "PMID:19825906") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22106962") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22150557") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22272067") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22302025") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22336849") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22336867") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22336868") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22435741") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:5346011") AnnotationAssertion( "Wikipedia:Sumatriptan") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "(3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methylmethanesulfonamide") AnnotationAssertion(Annotation( "IUPHAR") "1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide") AnnotationAssertion(Annotation( "ChemIDplus") "3-(2-(dimethylamino)ethyl)-N-methyl-1H-indole-5-methanesulfonamide") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "3-[2-(dimethylamino)ethyl]-N-methylindole-5-methanesulfonamide") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "Imigran") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "Imitrex") AnnotationAssertion(Annotation( "DrugBank") "Sumatran") AnnotationAssertion(Annotation( "DrugBank") "Sumax") AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "sumatriptan") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "sumatriptan") AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "sumatriptanum") AnnotationAssertion( "CHEBI:10650") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "sumatriptan") SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (metoclopramide) AnnotationAssertion( "A member of the class of benzamides resulting from the formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with the primary amino group of N,N-diethylethane-1,2-diamine.") AnnotationAssertion( "0") AnnotationAssertion( "C14H22ClN3O2") AnnotationAssertion( "InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)") AnnotationAssertion( "TTWJBBZEZQICBI-UHFFFAOYSA-N") AnnotationAssertion( "299.79600") AnnotationAssertion( "299.14005") AnnotationAssertion( "CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC") AnnotationAssertion( "CHEBI:6898") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:364-62-5") AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:364-62-5") AnnotationAssertion( "DrugBank:DB01233") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:1782") AnnotationAssertion( "HMDB:HMDB0015363") AnnotationAssertion( "KEGG:C07868") AnnotationAssertion( "KEGG:D00726") AnnotationAssertion( "LINCS:LSM-3689") AnnotationAssertion( "Patent:BE620543") AnnotationAssertion( "Patent:US3177252") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1884366") AnnotationAssertion( "VSDB:1821") AnnotationAssertion( "Wikipedia:Metoclopramide") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "2-methoxy-4-amino-5-chloro-N,N-(dimethylaminoethyl)benzamide") AnnotationAssertion(Annotation( "ChemIDplus") "2-methoxy-5-chloroprocainamide") AnnotationAssertion(Annotation( "ChemIDplus") "4-amino-5-chloro-2-methoxy-N-(beta-diethylaminoethyl)benzamide") AnnotationAssertion(Annotation( "ChEMBL") "4-amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide") AnnotationAssertion(Annotation( "ChemIDplus") "4-amino-5-chloro-N-(2-(diethylamino)ethyl)-o-anisamide") AnnotationAssertion(Annotation( "DrugBank") Annotation( ) "Elieten") AnnotationAssertion(Annotation( "DrugBank") Annotation( ) "Reliveran") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "metoclopramida") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "metoclopramide") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "metoclopramidum") AnnotationAssertion( "CHEBI:107736") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "metoclopramide") SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (clodronic acid) AnnotationAssertion( "An organochlorine compound that is methylene chloride in which both hydrogens are replaced by phosphonic acid groups. It inhibits bone resorption and soft tissue calcification, and is used (often as the disodium salt tetrahydrate) as an adjunct in the treatment of severe hypercalcaemia associated with malignancy, and in the management of osteolytic lesions and bone pain associated with skeletal metastases.") AnnotationAssertion( "0") AnnotationAssertion( "CH4Cl2O6P2") AnnotationAssertion( "InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)") AnnotationAssertion( "ACSIXWWBWUQEHA-UHFFFAOYSA-N") AnnotationAssertion( "244.89200") AnnotationAssertion( "243.88602") AnnotationAssertion( "OP(O)(=O)C(Cl)(Cl)P(O)(O)=O") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1876367") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:10596-23-3") AnnotationAssertion( "DrugBank:DB00720") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:690") AnnotationAssertion( "KEGG:D03545") AnnotationAssertion( "LINCS:LSM-5802") AnnotationAssertion(Annotation( "ChEMBL") "PMID:15658873") AnnotationAssertion(Annotation( "ChEMBL") "PMID:7818726") AnnotationAssertion(Annotation( "ChEMBL") "PMID:8421279") AnnotationAssertion( "Patent:BE672205") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(dichloromethanediyl)bis(phosphonic acid)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEMBL") "(Dichloro-phosphono-methyl)-phosphonic acid") AnnotationAssertion(Annotation( "ChEBI") "(dichloromethylene)bisphosphonic acid") AnnotationAssertion(Annotation( "ChEBI") "(dichloromethylene)diphosphonic acid") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "acide clodronique") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "acido clodronico") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "acidum clodronicum") AnnotationAssertion(Annotation( "ChemIDplus") "clodronate") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "clodronic acid") AnnotationAssertion(Annotation( "ChemIDplus") "clodronsaeure") AnnotationAssertion(Annotation( "ChEBI") "dichloromethylene-1,1-bisphosphonic acid") AnnotationAssertion(Annotation( "ChEBI") "dichloromethylene-1,1-diphosphonic acid") AnnotationAssertion(Annotation( "ChemIDplus") "dichloromethylidene diphosphonate") AnnotationAssertion( "CHEBI:110423") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "clodronic acid") SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: ((S)-carnitine) AnnotationAssertion( "The (S)-enantiomer of carnitine.") AnnotationAssertion( "0") AnnotationAssertion( "C7H15NO3") AnnotationAssertion( "InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m0/s1") AnnotationAssertion( "PHIQHXFUZVPYII-LURJTMIESA-N") AnnotationAssertion( "161.19894") AnnotationAssertion( "161.10519") AnnotationAssertion( "C[N+](C)(C)C[C@@H](O)CC([O-])=O") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:4292316") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:541-14-0") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:541-14-0") AnnotationAssertion( "KEGG:C15025") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(3S)-3-hydroxy-4-(trimethylammonio)butanoate") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "(S)-Carnitine") AnnotationAssertion(Annotation( "UniProt") "(S)-carnitine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "(+)-Carnitine") AnnotationAssertion(Annotation( "ChemIDplus") "Carnitine D-form") AnnotationAssertion(Annotation( "ChemIDplus") "D-(3-Carboxy-2-hydroxypropyl)trimethylammonium hydroxide, inner salt") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "D-Carnitine") AnnotationAssertion(Annotation( "ChemIDplus") "d-Carnitine") AnnotationAssertion( "CHEBI:11060") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "(S)-carnitine") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (EC 2.1.1.8 (histamine N-methyltransferase) inhibitor) AnnotationAssertion( "An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of histamine N-methyltransferase (EC 2.1.1.8).") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "EC 2.1.1.8 (histamine N-methyltransferase) inhibitors") AnnotationAssertion(Annotation( "ChEBI") "EC 2.1.1.8 inhibitor") AnnotationAssertion(Annotation( "ChEBI") "EC 2.1.1.8 inhibitors") AnnotationAssertion(Annotation( "ChEBI") "S-adenosyl-L-methionine:histamine N-tele-methyltransferase inhibitor") AnnotationAssertion(Annotation( "ChEBI") "S-adenosyl-L-methionine:histamine N-tele-methyltransferase inhibitors") AnnotationAssertion(Annotation( "ChEBI") "S-adenosylmethionine-histamine N-methyltransferase inhibitor") AnnotationAssertion(Annotation( "ChEBI") "S-adenosylmethionine-histamine N-methyltransferase inhibitors") AnnotationAssertion(Annotation( "ChEBI") "histamine 1-methyltransferase inhibitor") AnnotationAssertion(Annotation( "ChEBI") "histamine 1-methyltransferase inhibitors") AnnotationAssertion(Annotation( "ChEBI") "histamine methyltransferase inhibitor") AnnotationAssertion(Annotation( "ChEBI") "histamine methyltransferase inhibitors") AnnotationAssertion(Annotation( "ChEBI") "histamine-methylating enzyme inhibitor") AnnotationAssertion(Annotation( "ChEBI") "histamine-methylating enzyme inhibitors") AnnotationAssertion(Annotation( "ChEBI") "imidazolemethyltransferase inhibitor") AnnotationAssertion(Annotation( "ChEBI") "imidazolemethyltransferase inhibitors") AnnotationAssertion( "CHEBI:110725") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "EC 2.1.1.8 (histamine N-methyltransferase) inhibitor") SubClassOf( ) # Class: (nordazepam) AnnotationAssertion( "A 1,4-benzodiazepinone having phenyl and chloro substituents at positions 5 and 7 respectively; it has anticonvulsant, anxiolytic, muscle relaxant and sedative properties but is used primarily in the treatment of anxiety.") AnnotationAssertion( "0") AnnotationAssertion( "C15H11ClN2O") AnnotationAssertion( "InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)") AnnotationAssertion( "AKPLHCDWDRPJGD-UHFFFAOYSA-N") AnnotationAssertion( "270.71400") AnnotationAssertion( "270.05599") AnnotationAssertion( "Clc1ccc2NC(=O)CN=C(c3ccccc3)c2c1") AnnotationAssertion( "CHEBI:7624") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:1088-11-5") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:1088-11-5") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:816") AnnotationAssertion( "KEGG:C07486") AnnotationAssertion( "KEGG:D08283") AnnotationAssertion(Annotation( "Europe PMC") "PMID:16622") AnnotationAssertion(Annotation( "Europe PMC") "PMID:19604") AnnotationAssertion(Annotation( "Europe PMC") "PMID:360230") AnnotationAssertion(Annotation( "Europe PMC") "PMID:364005") AnnotationAssertion(Annotation( "Europe PMC") "PMID:367407") AnnotationAssertion(Annotation( "Europe PMC") "PMID:4953859") AnnotationAssertion( "Patent:BE620020") AnnotationAssertion( "Patent:DE1136709") AnnotationAssertion( "Patent:US3051701") AnnotationAssertion( "Patent:US3202699") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:751823") AnnotationAssertion( "Wikipedia:Desmethyldiazepam") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "7-chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1-Demethyldiazepam") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "7-Chloro-1,3-dihydro-5-phenyl-(2H)-1,4-benzodiazepin-2-one") AnnotationAssertion(Annotation( "ChemIDplus") "7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "7-Chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one") AnnotationAssertion(Annotation( "ChemIDplus") "Chlordesmethyldiazepam") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Chlordesmethyldiazepam") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Dealkylprazepam") AnnotationAssertion(Annotation( "ChemIDplus") "Desmethyldiazepam") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Desmethyldiazepam") AnnotationAssertion(Annotation( "ChemIDplus") "N-Demethyldiazepam") AnnotationAssertion(Annotation( "ChemIDplus") "N-Deoxydemoxepam") AnnotationAssertion(Annotation( "ChemIDplus") "N-Desmethyldiazepam") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "N1-Desmethyldiazepam") AnnotationAssertion(Annotation( "ChemIDplus") "Nordiazepam") AnnotationAssertion(Annotation( "ChemIDplus") "Norprazepam") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "nordazepam") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "nordazepamum") AnnotationAssertion( "CHEBI:111762") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "nordazepam") SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (sodium ascorbate) AnnotationAssertion( "An organic sodium salt resulting from the replacement of the proton from the 3-hydroxy group of ascorbic acid by a sodium ion.") AnnotationAssertion( "0") AnnotationAssertion( "C6H7NaO6") AnnotationAssertion( "InChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5+;/m0./s1") AnnotationAssertion( "PPASLZSBLFJQEF-RXSVEWSESA-M") AnnotationAssertion( "198.106") AnnotationAssertion( "198.01403") AnnotationAssertion( "[Na+].O1C(=O)C(O)=C([O-])[C@]1([C@H](CO)O)[H]") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:134-03-2") AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:134-03-2") AnnotationAssertion( "Chemspider:16736174") AnnotationAssertion( "DrugBank:DB14482") AnnotationAssertion( "FooDB:FDB001226") AnnotationAssertion( "KEGG:D05853") AnnotationAssertion(Annotation( "Europe PMC") "PMID:26386330") AnnotationAssertion(Annotation( "Europe PMC") "PMID:26755225") AnnotationAssertion(Annotation( "Europe PMC") "PMID:26818978") AnnotationAssertion(Annotation( "Europe PMC") "PMID:27011749") AnnotationAssertion(Annotation( "Europe PMC") "PMID:29669302") AnnotationAssertion(Annotation( "Europe PMC") "PMID:30352326") AnnotationAssertion(Annotation( "Europe PMC") "PMID:30902302") AnnotationAssertion(Annotation( "Europe PMC") "PMID:32172678") AnnotationAssertion(Annotation( "Europe PMC") "PMID:33474574") AnnotationAssertion(Annotation( "Europe PMC") "PMID:33573953") AnnotationAssertion(Annotation( "Europe PMC") "PMID:34151070") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:5465157") AnnotationAssertion( "Wikipedia:Sodium_ascorbate") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sodium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "L-ascorbic acid sodium salt") AnnotationAssertion(Annotation( "ChemIDplus") "L-ascorbic acid, monosodium salt") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "ascorbate de sodium") AnnotationAssertion(Annotation( "ChemIDplus") "ascorbic acid sodium salt") AnnotationAssertion(Annotation( "ChemIDplus") "monosodium L-ascorbate") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "natrii ascorbas") AnnotationAssertion(Annotation( "ChEBI") "sodium L-ascorbate") AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "sodium ascorbate") AnnotationAssertion(Annotation( "ChemIDplus") "vitamin C sodium") AnnotationAssertion(Annotation( "ChemIDplus") "vitamin C, sodium salt") AnnotationAssertion( "CHEBI:113451") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "sodium ascorbate") SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (erlotinib) AnnotationAssertion( "A quinazoline compound having a (3-ethynylphenyl)amino group at the 4-position and two 2-methoxyethoxy groups at the 6- and 7-positions.") AnnotationAssertion( "0") AnnotationAssertion( "C22H23N3O4") AnnotationAssertion( "InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)") AnnotationAssertion( "AAKJLRGGTJKAMG-UHFFFAOYSA-N") AnnotationAssertion( "393.43570") AnnotationAssertion( "393.16886") AnnotationAssertion( "COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC") AnnotationAssertion( "CHEBI:40877") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:183321-74-6") AnnotationAssertion(Annotation( "DrugBank") "CAS:183321-74-6") AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:183321-74-6") AnnotationAssertion( "DrugBank:DB00530") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:1045") AnnotationAssertion( "HMDB:HMDB0014671") AnnotationAssertion( "KEGG:D07907") AnnotationAssertion( "LINCS:LSM-1097") AnnotationAssertion( "PDBeChem:AQ4") AnnotationAssertion(Annotation( "ChEMBL") "PMID:12270171") AnnotationAssertion(Annotation( "ChEMBL") "PMID:14684309") AnnotationAssertion(Annotation( "ChEMBL") "PMID:15711537") AnnotationAssertion(Annotation( "Europe PMC") "PMID:16014882") AnnotationAssertion(Annotation( "Europe PMC") "PMID:16014883") AnnotationAssertion(Annotation( "ChEMBL") "PMID:16480284") AnnotationAssertion(Annotation( "ChEMBL") "PMID:17889528") AnnotationAssertion(Annotation( "ChEMBL") "PMID:17983745") AnnotationAssertion(Annotation( "Europe PMC") "PMID:29448920") AnnotationAssertion(Annotation( "Europe PMC") "PMID:29579331") AnnotationAssertion(Annotation( "Europe PMC") "PMID:29687154") AnnotationAssertion(Annotation( "Europe PMC") "PMID:30039303") AnnotationAssertion(Annotation( "Europe PMC") "PMID:30071517") AnnotationAssertion(Annotation( "Europe PMC") "PMID:30150014") AnnotationAssertion(Annotation( "Europe PMC") "PMID:30158288") AnnotationAssertion( "Patent:US2010094004") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:8798958") AnnotationAssertion( "Wikipedia:Erlotinib") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "PDBeChem") "[6,7-bis(2-methoxy-ethoxy)quinazoline-4-yl]-(3-ethynylphenyl)amine") AnnotationAssertion(Annotation( "DrugBank") "[6,7-bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine") AnnotationAssertion(Annotation( "WHO_MedNet") Annotation( ) "erlotinib") AnnotationAssertion(Annotation( "WHO_MedNet") Annotation( ) "erlotinibum") AnnotationAssertion( "CHEBI:114785") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "erlotinib") SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (sodium disulfite) AnnotationAssertion( "An inorganic sodium salt composed of sodium and disulfite ions in a 2:1 ratio.") AnnotationAssertion( "0") AnnotationAssertion( "Na2O5S2") AnnotationAssertion( "InChI=1S/2Na.H2O5S2/c;;1-6(2)7(3,4)5/h;;(H,1,2)(H,3,4,5)/q2*+1;/p-2") AnnotationAssertion( "HRZFUMHJMZEROT-UHFFFAOYSA-L") AnnotationAssertion( "190.109") AnnotationAssertion( "189.89825") AnnotationAssertion( "S(S([O-])=O)([O-])(=O)=O.[Na+].[Na+]") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7681-57-4") AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:7681-57-4") AnnotationAssertion( "KEGG:D02054") AnnotationAssertion(Annotation( "Europe PMC") "PMID:26515667") AnnotationAssertion(Annotation( "Europe PMC") "PMID:26700884") AnnotationAssertion(Annotation( "Europe PMC") "PMID:26799451") AnnotationAssertion(Annotation( "Europe PMC") "PMID:26928470") AnnotationAssertion(Annotation( "Europe PMC") "PMID:27037703") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:18846778") AnnotationAssertion( "Wikipedia:Sodium_metabisulfite") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "disodium oxido(oxo)-kappa(4)-sulfanesulfonate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "Disodium disulfite") AnnotationAssertion(Annotation( "ChemIDplus") "Disodium disulphite") AnnotationAssertion(Annotation( "ChemIDplus") "Disodium metabisulfite") AnnotationAssertion(Annotation( "ChemIDplus") "Disodium pyrosulfite") AnnotationAssertion(Annotation( "ChemIDplus") "Disulfurous acid, disodium salt") AnnotationAssertion(Annotation( "ChEBI") "E223") AnnotationAssertion(Annotation( "ChEBI") "Na2S2O5") AnnotationAssertion(Annotation( "ChemIDplus") "Pyrosulfurous acid, disodium salt") AnnotationAssertion(Annotation( "ChemIDplus") "Sodium metabisulphite") AnnotationAssertion(Annotation( "KEGG_DRUG") "Sodium pyrosulfite") AnnotationAssertion(Annotation( "ChEBI") "sodium metabisulfite") AnnotationAssertion(Annotation( "ChemIDplus") "sodium pyrosulphite") AnnotationAssertion( "CHEBI:114786") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "sodium disulfite") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (3-quinuclidinol) AnnotationAssertion( "Quinuclidine in which a hydrogen atom at position 3 is substituted by a hydroxy group.") AnnotationAssertion( "0") AnnotationAssertion( "C7H13NO") AnnotationAssertion( "InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2") AnnotationAssertion( "IVLICPVPXWEGCA-UHFFFAOYSA-N") AnnotationAssertion( "127.18420") AnnotationAssertion( "127.09971") AnnotationAssertion( "OC1C[N@@]2CC[C@H]1CC2") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:1619-34-7") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:1619-34-7") AnnotationAssertion(Annotation( "ChEMBL") "PMID:8487254") AnnotationAssertion( "Patent:US2648667") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-azabicyclo[2.2.2]octan-3-ol") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "(+-)-3-quinuclidinol") AnnotationAssertion(Annotation( "ChEMBL") "1-Aza-bicyclo[2.2.2]octan-3-ol") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "3-hydroxy-1-azabicyclo[2.2.2]octane") AnnotationAssertion(Annotation( "ChemIDplus") "3-hydroxyquinuclidine") AnnotationAssertion(Annotation( "ChemIDplus") "quinuclidin-3-ol") AnnotationAssertion( "CHEBI:115239") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "3-quinuclidinol") SubClassOf( ) SubClassOf( ) SubClassOf( ) # Class: (nomifensine) AnnotationAssertion( "An N-methylated tetrahydroisoquinoline carrying phenyl and amino substituents at positions C-4 and C-8, respectively.") AnnotationAssertion( "0") AnnotationAssertion( "C16H18N2") AnnotationAssertion( "InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3") AnnotationAssertion( "XXPANQJNYNUNES-UHFFFAOYSA-N") AnnotationAssertion( "238.32750") AnnotationAssertion( "238.14700") AnnotationAssertion( "CN1CC(c2ccccc2)c2cccc(N)c2C1") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:484561") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:24526-64-5") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:24526-64-5") AnnotationAssertion( "DrugBank:DB04821") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:1958") AnnotationAssertion( "LINCS:LSM-4388") AnnotationAssertion(Annotation( "Europe PMC") "PMID:1502708") AnnotationAssertion(Annotation( "Europe PMC") "PMID:24766210") AnnotationAssertion(Annotation( "Europe PMC") "PMID:7189402") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:484561") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Nomifensine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "(+-)-Nomifensin") AnnotationAssertion(Annotation( "ChemIDplus") "(+-)-Nomifensine") AnnotationAssertion(Annotation( "ChEBI") "2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine") AnnotationAssertion(Annotation( "ChemIDplus") "8-Amino-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline") AnnotationAssertion(Annotation( "ChEBI") "D,L-nomifensine") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Nomifenison") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Nomifensin") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Nomiphensine") AnnotationAssertion(Annotation( "ChEBI") "R/S-nomifensine") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "nomifensina") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "nomifensine") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "nomifensinum") AnnotationAssertion( "CHEBI:116225") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "nomifensine") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) # Class: (lomefloxacin) AnnotationAssertion( "A fluoroquinolone antibiotic, used (generally as the hydrochloride salt) to treat bacterial infections including bronchitis and urinary tract infections. It is also used to prevent urinary tract infections prior to surgery.") AnnotationAssertion( "0") AnnotationAssertion( "C17H19F2N3O3") AnnotationAssertion( "InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)") AnnotationAssertion( "ZEKZLJVOYLTDKK-UHFFFAOYSA-N") AnnotationAssertion( "351.34790") AnnotationAssertion( "351.13945") AnnotationAssertion( "CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12") AnnotationAssertion( "CHEBI:6517") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:4210041") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:98079-51-7") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:98079-51-7") AnnotationAssertion( "DrugBank:DB00978") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:1594") AnnotationAssertion( "KEGG:C07078") AnnotationAssertion( "KEGG:D02318") AnnotationAssertion( "LINCS:LSM-5145") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11195849") AnnotationAssertion(Annotation( "Europe PMC") "PMID:3134843") AnnotationAssertion(Annotation( "Europe PMC") "PMID:3348607") AnnotationAssertion(Annotation( "Europe PMC") "PMID:3476021") AnnotationAssertion( "Patent:DE3433924") AnnotationAssertion( "Patent:US4528287") AnnotationAssertion( "Wikipedia:Lomefloxacin") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "(+-)-1-ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid") AnnotationAssertion(Annotation( "ChemIDplus") "1,4-Dihydro-6,8-difluoro-1-ethyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid") AnnotationAssertion(Annotation( "KEGG_DRUG") "LFLX") AnnotationAssertion(Annotation( "DrugBank") "Lomefloxacine") AnnotationAssertion(Annotation( "DrugBank") "Lomefloxacino") AnnotationAssertion(Annotation( "DrugBank") "Lomefloxacinum") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "lomefloxacin") AnnotationAssertion( "CHEBI:116278") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "lomefloxacin") SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (benzocaine) AnnotationAssertion( "A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina.") AnnotationAssertion( "0") AnnotationAssertion( "C9H11NO2") AnnotationAssertion( "InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3") AnnotationAssertion( "BLFLLBZGZJTVJG-UHFFFAOYSA-N") AnnotationAssertion( "165.18910") AnnotationAssertion( "165.07898") AnnotationAssertion( "CCOC(=O)c1ccc(N)cc1") AnnotationAssertion( "CHEBI:3030") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:638434") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:94-09-7") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:94-09-7") AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:94-09-7") AnnotationAssertion( "DrugBank:DB01086") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:323") AnnotationAssertion( "HMDB:HMDB0004992") AnnotationAssertion( "KEGG:C07527") AnnotationAssertion( "KEGG:D00552") AnnotationAssertion( "LINCS:LSM-5830") AnnotationAssertion(Annotation( "ChEMBL") "PMID:10866370") AnnotationAssertion(Annotation( "Europe PMC") "PMID:1155304") AnnotationAssertion(Annotation( "Europe PMC") "PMID:12574744") AnnotationAssertion(Annotation( "ChEMBL") "PMID:12873507") AnnotationAssertion(Annotation( "Europe PMC") "PMID:16640711") AnnotationAssertion(Annotation( "Europe PMC") "PMID:18971079") AnnotationAssertion(Annotation( "Europe PMC") "PMID:21616561") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22015737") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22105694") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22551703") AnnotationAssertion(Annotation( "Europe PMC") "PMID:22556388") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23301559") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23565580") AnnotationAssertion(Annotation( "Europe PMC") "PMID:23696166") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25097477") AnnotationAssertion(Annotation( "ChEMBL") "PMID:2579237") AnnotationAssertion(Annotation( "Europe PMC") "PMID:29079364") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:638434") AnnotationAssertion( "Wikipedia:Benzocaine") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "ethyl 4-aminobenzoate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "4-aminobenzoic acid ethyl ester") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Amben ethyl ester") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Benzocaina") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Benzocaine") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Benzocainum") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Ethyl aminobenzoate") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Ethyl p-aminobenzoate") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Ethyl p-aminophenylcarboxylate") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "p-(Ethoxycarbonyl)aniline") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "p-Carbethoxyaniline") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "p-Ethoxycarboxylic aniline") AnnotationAssertion( "CHEBI:116735") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "benzocaine") SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (nipecotic acid) AnnotationAssertion( "A piperidinemonocarboxylic acid that is piperidine in which one of the hydrogens at position 3 is substituted by a carboxylic acid group.") AnnotationAssertion( "0") AnnotationAssertion( "C6H11NO2") AnnotationAssertion( "InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)") AnnotationAssertion( "XJLSEXAGTJCILF-UHFFFAOYSA-N") AnnotationAssertion( "129.15700") AnnotationAssertion( "129.07898") AnnotationAssertion( "OC(=O)C1CCCNC1") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:81096") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:498-95-3") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1782986") AnnotationAssertion( "LINCS:LSM-6517") AnnotationAssertion( "Patent:US3159639") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "piperidine-3-carboxylic acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "3-piperidinecarboxylic acid") AnnotationAssertion(Annotation( "ChEMBL") "Piperidine-3-carboxylic acid") AnnotationAssertion(Annotation( "ChEBI") "hexahydronicotinic acid") AnnotationAssertion( "CHEBI:116931") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "nipecotic acid") SubClassOf( ) SubClassOf( ) # Class: (fosinoprilat) AnnotationAssertion( "A phosphinic acid-containing N-acyl derivative of (4S)-cyclohexyl-L-proline. An inhibitor of angiotensin converting enzyme (ACE), it is used as the phosphinate ester pro-drug fosinopril for treatment of hypertension and chronic heart failure.") AnnotationAssertion( "0") AnnotationAssertion( "C23H34NO5P") AnnotationAssertion( "InChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4-10-18)24-16-20(15-21(24)23(26)27)19-12-5-2-6-13-19/h1,3-4,9-10,19-21H,2,5-8,11-17H2,(H,26,27)(H,28,29)/t20-,21+/m1/s1") AnnotationAssertion( "WOIWWYDXDVSWAZ-RTWAWAEBSA-N") AnnotationAssertion( "435.49350") AnnotationAssertion( "435.21746") AnnotationAssertion( "[H][C@]1(C[C@H](N(C1)C(=O)CP(O)(=O)CCCCc1ccccc1)C(O)=O)C1CCCCC1") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:6492772") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:95399-71-6") AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:95399-71-6") AnnotationAssertion( "KEGG:D03772") AnnotationAssertion(Annotation( "Europe PMC") "PMID:10606834") AnnotationAssertion(Annotation( "Europe PMC") "PMID:17482898") AnnotationAssertion(Annotation( "Europe PMC") "PMID:7751424") AnnotationAssertion(Annotation( "Europe PMC") "PMID:9549638") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:6492772") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(4S)-4-cyclohexyl-1-{[hydroxy(4-phenylbutyl)phosphoryl]acetyl}-L-proline") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "(2S,4S)-4-cyclohexyl-1-{2-[hydroxy(4-phenylbutyl)phosphoryl]acetyl}pyrrolidine-2-carboxylic acid") AnnotationAssertion(Annotation( "ChEBI") "(2S,4S)-4-cyclohexyl-1-{2-[hydroxy-(4-phenyl-butyl)-phosphinoyl]-acetyl}-pyrrolidine-2-carboxylic acid") AnnotationAssertion(Annotation( "ChemIDplus") "(4S)-4-cyclohexyl-1-((hydroxy(4-phenylbutyl)phosphinyl)acetyl)-L-proline") AnnotationAssertion(Annotation( "ChEMBL") "4-Cyclohexyl-1-{2-[hydroxy-(4-phenyl-butyl)-phosphinoyl]-acetyl}-pyrrolidine-2-carboxylic acid") AnnotationAssertion(Annotation( "ChemIDplus") "fosinopril diacid") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "fosinoprilat") AnnotationAssertion(Annotation( "WHO_MedNet") Annotation( ) "fosinoprilat") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "fosinoprilatum") AnnotationAssertion(Annotation( "ChemIDplus") "fosinoprilic acid") AnnotationAssertion( "CHEBI:116962") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "fosinoprilat") SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (efavirenz) AnnotationAssertion( "1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection.") AnnotationAssertion( "0") AnnotationAssertion( "C14H9ClF3NO2") AnnotationAssertion( "InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1") AnnotationAssertion( "XPOQHMRABVBWPR-ZDUSSCGKSA-N") AnnotationAssertion( "315.67500") AnnotationAssertion( "315.02739") AnnotationAssertion( "FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1") AnnotationAssertion( "CHEBI:190461") AnnotationAssertion( "CHEBI:47396") AnnotationAssertion( "CHEBI:4760") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:7387333") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:154598-52-4") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:154598-52-4") AnnotationAssertion( "DrugBank:DB00625") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:989") AnnotationAssertion( "HMDB:HMDB0014763") AnnotationAssertion( "KEGG:C08088") AnnotationAssertion( "KEGG:D00896") AnnotationAssertion( "LINCS:LSM-5526") AnnotationAssertion( "PDBeChem:EFZ") AnnotationAssertion(Annotation( "ChEMBL") "PMID:10576692") AnnotationAssertion(Annotation( "ChEMBL") "PMID:10673109") AnnotationAssertion(Annotation( "Europe PMC") "PMID:25017682") AnnotationAssertion( "Patent:EP582455") AnnotationAssertion( "Patent:US5519021") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:7387333") AnnotationAssertion( "Wikipedia:Efavirenz") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(4S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Efavirenz") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "PDBeChem") "(-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE") AnnotationAssertion(Annotation( "ChemIDplus") "(S)-6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one") AnnotationAssertion(Annotation( "ChEMBL") "(S)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one") AnnotationAssertion(Annotation( "ChEMBL") "6-chloro-4-(2-cyclopropyl-1-ethynyl)-4-trifluoromethyl-(4S)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one") AnnotationAssertion( "CHEBI:119486") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "efavirenz") SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (4-amino-3-hydroxybutanoate) AnnotationAssertion( "The conjugate base of gamma-amino-beta-hydroxybutyric acid arising from deprotonation of the carboxy group.") AnnotationAssertion( "-1") AnnotationAssertion( "C4H8NO3") AnnotationAssertion( "InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/p-1") AnnotationAssertion( "YQGDEPYYFWUPGO-UHFFFAOYSA-M") AnnotationAssertion( "118.11126") AnnotationAssertion( "118.05097") AnnotationAssertion( "NCC(O)CC([O-])=O") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:352-21-6") AnnotationAssertion(Annotation( "ChEBI") "KEGG:C03678") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "4-Amino-3-hydroxybutanoate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:11955") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "4-amino-3-hydroxybutanoate") SubClassOf( ) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) # Class: (delavirdine) AnnotationAssertion( "The amide resulting from the formal condensation of 5-[(methylsulfonyl)amino]-1H-indole-2-carboxylic acid and 4-amino group of 1-[3-(isopropylamino)pyridin-2-yl]piperazine, delavirdine is a non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. Viral resistance emerges rapidly when delavirdine is used alone, so it is therefore used (as the methanesulfonic acid salt) with other antiretrovirals for combination therapy of HIV infection.") AnnotationAssertion( "0") AnnotationAssertion( "C22H28N6O3S") AnnotationAssertion( "InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3") AnnotationAssertion( "WHBIGIKBNXZKFE-UHFFFAOYSA-N") AnnotationAssertion( "456.56100") AnnotationAssertion( "456.19436") AnnotationAssertion( "CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1") AnnotationAssertion( "CHEBI:4378") AnnotationAssertion( "CHEBI:45727") AnnotationAssertion(Annotation( "Beilstein") "Beilstein:6356813") AnnotationAssertion(Annotation( "ChemIDplus") "CAS:136817-59-9") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:136817-59-9") AnnotationAssertion( "DrugBank:DB00705") AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:799") AnnotationAssertion( "KEGG:C06941") AnnotationAssertion( "KEGG:D07782") AnnotationAssertion( "PDBeChem:SPP") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11124228") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11225565") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11327199") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11363651") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11363709") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11364022") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11364099") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11364363") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11364481") AnnotationAssertion(Annotation( "Europe PMC") "PMID:11590527") AnnotationAssertion(Annotation( "Europe PMC") "PMID:16449090") AnnotationAssertion(Annotation( "Europe PMC") "PMID:21080015") AnnotationAssertion(Annotation( "Europe PMC") "PMID:21683601") AnnotationAssertion(Annotation( "Europe PMC") "PMID:21865017") AnnotationAssertion( "Patent:WO9109849") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:6356813") AnnotationAssertion( "Wikipedia:Delavirdine") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Delavirdine") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]methanesulfonamide") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEMBL") "(N-[2-[4-[3-(1-methylethylamino)pyridin-2-yl]piperazin-1-yl]carbonyl-1H-indol-5-yl] methanesulfonamide)") AnnotationAssertion(Annotation( "ChemIDplus") "1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)piperazine") AnnotationAssertion(Annotation( "ChemIDplus") "2-(4-(5-methanesulfonamido-1H-indol-2-ylcarbonyl)-1-piperazinyl)-N-(1-methylethyl)-3-pyridinamine") AnnotationAssertion(Annotation( "ChEMBL") "N-(2-(1-(3-(isopropylamino)pyridin-2-yl)piperazine-4-carbonyl)-1H-indol-5-yl)methanesulfonamide") AnnotationAssertion(Annotation( "ChEMBL") "N-{2-[4-(3-Isopropylamino-pyridin-2-yl)-piperazine-1-carbonyl]-1H-indol-5-yl}-methanesulfonamide") AnnotationAssertion(Annotation( "ChemIDplus") Annotation( <