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CHEBI:129103 - (1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(2-thiazolylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:129103
ChEBI Name(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(2-thiazolylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC26H26FN5O3S
Net Charge0
Average Mass507.591
Monoisotopic Mass507.17404
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(Cc2nccs2)C1
InChIInChI=1S/C26H26FN5O3S/c1-35-18-6-7-19-20(10-18)30-24-21(12-33)32(25(34)29-17-4-2-16(27)3-5-17)15-26(23(19)24)13-31(14-26)11-22-28-8-9-36-22/h2-10,21,30,33H,11-15H2,1H3,(H,29,34)/t21-/m0/s1
InChIKeyTWWVMBRAYHSHOA-NRFANRHFSA-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'-(2-thiazolylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:129103) is a harmala alkaloid (CHEBI:61379)
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