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CHEBI:102606 - (3S)-2-[(S)-tert-butylsulfinyl]-N-cyclohexyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:102606
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-N-cyclohexyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC35H44N4O4S
Net Charge0
Average Mass616.828
Monoisotopic Mass616.30833
SMILESCN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)NC4CCCCC4)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1
InChIInChI=1S/C35H44N4O4S/c1-35(2,3)44(43)39-22-27-21-29(33(41)36-28-12-7-6-8-13-28)37-32(31(27)30(39)18-19-40)26-11-9-10-25(20-26)23-14-16-24(17-15-23)34(42)38(4)5/h9-11,14-17,20-21,28,30,40H,6-8,12-13,18-19,22H2,1-5H3,(H,36,41)/t30-,44-/m0/s1
InChIKeyBMIDXELBLGAQFU-PDWOKFFSSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-N-cyclohexyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:102606) is a biphenyls (CHEBI:22888)
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