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CHEBI:130505 - (1S)-2-(cyclopropylmethyl)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:130505
ChEBI Name(1S)-2-(cyclopropylmethyl)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC27H30F2N4O3
Net Charge0
Average Mass496.558
Monoisotopic Mass496.22860
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C27H30F2N4O3/c1-31-22-10-18(36-2)6-7-19(22)24-25(31)23(12-34)32(11-16-3-4-16)13-27(24)14-33(15-27)26(35)30-21-8-5-17(28)9-20(21)29/h5-10,16,23,34H,3-4,11-15H2,1-2H3,(H,30,35)/t23-/m1/s1
InChIKeyANGGGRIYABJACC-HSZRJFAPSA-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)-2-(cyclopropylmethyl)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:130505) is a harmala alkaloid (CHEBI:61379)
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