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

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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
ChEBI ID CHEBI:103077
Stars This entity has been manually annotated by a third party.
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Formula C31H38N4O4S
Net Charge 0
Average Mass 562.725
Monoisotopic Mass 562.26138
InChI InChI=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
InChIKey WMNVIWBOXVWRSQ-YKPJRVAWSA-N
SMILES CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)N(C)C
ChEBI Ontology
Outgoing (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)
Manual Xref Database
LSM-14422 LINCS
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