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CHEBI:101848 - (3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:101848
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC29H32F3N3O4S
Net Charge0
Average Mass575.653
Monoisotopic Mass575.20656
SMILESCOc1cccc(-c2cccc(-c3nc(C(=O)NCC(F)(F)F)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)c1
InChIInChI=1S/C29H32F3N3O4S/c1-28(2,3)40(38)35-16-21-15-23(27(37)33-17-29(30,31)32)34-26(25(21)24(35)11-12-36)20-9-5-7-18(13-20)19-8-6-10-22(14-19)39-4/h5-10,13-15,24,36H,11-12,16-17H2,1-4H3,(H,33,37)/t24-,40-/m0/s1
InChIKeyZACPEVQRHPQJRQ-KHMLVVKISA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101848) is a biphenyls (CHEBI:22888)
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