CHEBI:100440 - (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-piperidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI Name (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-piperidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide ChEBI ID CHEBI:100440 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 C34H41N5O3S Net Charge 0 Average Mass 599.788 Monoisotopic Mass 599.29301 InChI InChI=1S/C34H41N5O3S/c1-34(2,3)43(42)39-23-28-21-29(33(41)36-14-17-38-15-5-4-6-16-38)37-32(31(28)30(39)13-18-40)27-12-8-11-26(20-27)25-10-7-9-24(19-25)22-35/h7-12,19-21,30,40H,4-6,13-18,23H2,1-3H3,(H,36,41)/t30-,43-/m1/s1 InChIKey APUVMPYXYOEPCI-QHKNHCAJSA-N SMILES CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)NCCN5CCCCC5 ChEBI Ontology Outgoing (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-piperidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100440) is a biphenyls (CHEBI:22888) (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-piperidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100440) is a nitrile (CHEBI:18379) Manual Xref Database LSM-11815 LINCS View more database links