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CHEBI:127245 - (1S)-1'-[(2,5-difluorophenyl)methyl]-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:127245
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-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC29H27F3N4O3
Net Charge0
Average Mass536.554
Monoisotopic Mass536.20353
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(Cc2cc(F)ccc2F)C1
InChIInChI=1S/C29H27F3N4O3/c1-39-21-7-8-22-24(11-21)34-27-25(13-37)36(28(38)33-20-5-2-18(30)3-6-20)16-29(26(22)27)14-35(15-29)12-17-10-19(31)4-9-23(17)32/h2-11,25,34,37H,12-16H2,1H3,(H,33,38)/t25-/m1/s1
InChIKeyBJRYPPFZJFOGRI-RUZDIDTESA-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-4,3'-azetidine]carboxamide (CHEBI:127245) is a harmala alkaloid (CHEBI:61379)
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