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CHEBI:103077 - (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:103077
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC31H38N4O4S
Net Charge0
Average Mass562.736
Monoisotopic Mass562.26138
SMILESCN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)N(C)C)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1
InChIInChI=1S/C31H38N4O4S/c1-31(2,3)40(39)35-19-24-18-25(30(38)34(6)7)32-28(27(24)26(35)15-16-36)23-10-8-9-22(17-23)20-11-13-21(14-12-20)29(37)33(4)5/h8-14,17-18,26,36H,15-16,19H2,1-7H3/t26-,40-/m0/s1
InChIKeyWMNVIWBOXVWRSQ-YKPJRVAWSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:103077) is a biphenyls (CHEBI:22888)
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