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CHEBI:127138 - (1S)-1'-[(2,5-difluorophenyl)methyl]-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:127138
ChEBI Name(1S)-1'-[(2,5-difluorophenyl)methyl]-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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DownloadsMolfile
FormulaC31H31F3N4O3
Net Charge0
Average Mass564.608
Monoisotopic Mass564.23483
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C31H31F3N4O3/c1-41-23-7-8-24-26(15-23)36-29-27(17-39)38(30(40)35-22-5-2-20(32)3-6-22)18-31(28(24)29)10-12-37(13-11-31)16-19-14-21(33)4-9-25(19)34/h2-9,14-15,27,36,39H,10-13,16-18H2,1H3,(H,35,40)/t27-/m1/s1
InChIKeyKPWSMMMLCLZZAJ-HHHXNRCGSA-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)
(1S)-1'-[(2,5-difluorophenyl)methyl]-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:127138) is a harmala alkaloid (CHEBI:61379)
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