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CHEBI:130142 - (1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-[(1-methyl-4-imidazolyl)sulfonyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:130142
ChEBI Name(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-[(1-methyl-4-imidazolyl)sulfonyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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DownloadsMolfile
FormulaC28H31FN6O5S
Net Charge0
Average Mass582.658
Monoisotopic Mass582.20607
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(S(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C28H31FN6O5S/c1-33-14-24(30-17-33)41(38,39)34-11-9-28(10-12-34)16-35(27(37)31-19-5-3-18(29)4-6-19)23(15-36)26-25(28)21-8-7-20(40-2)13-22(21)32-26/h3-8,13-14,17,23,32,36H,9-12,15-16H2,1-2H3,(H,31,37)/t23-/m0/s1
InChIKeyWDKRTTJBBIHHEL-QHCPKHFHSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-[(1-methyl-4-imidazolyl)sulfonyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:130142) is a harmala alkaloid (CHEBI:61379)
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