CHEBI:101361 - 3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide

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ChEBI Name 3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide ChEBI ID CHEBI:101361 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C34H43N5O4S Net Charge 0 Average Mass 617.804 Monoisotopic Mass 617.30358 InChI InChI=1S/C34H43N5O4S/c1-34(2,3)44(43)39-22-27-21-28(33(42)38-16-14-37(6)15-17-38)35-31(30(27)29(39)13-18-40)25-11-7-9-23(19-25)24-10-8-12-26(20-24)32(41)36(4)5/h7-12,19-21,29,40H,13-18,22H2,1-6H3/t29-,44-/m1/s1 InChIKey JAGKHPQTGSVHMY-FUGCVYLMSA-N SMILES CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)C(=O)N5CCN(CC5)C ChEBI Ontology Outgoing 3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide (CHEBI:101361) is a biphenyls (CHEBI:22888) Manual Xref Database LSM-12725 LINCS View more database links