CHEBI:100116 - (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)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-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide ChEBI ID CHEBI:100116 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 C28H32FN3O3S Net Charge 0 Average Mass 509.638 Monoisotopic Mass 509.21484 InChI InChI=1S/C28H32FN3O3S/c1-28(2,3)36(35)32-17-21-16-23(27(34)31(4)5)30-26(25(21)24(32)13-14-33)20-8-6-7-19(15-20)18-9-11-22(29)12-10-18/h6-12,15-16,24,33H,13-14,17H2,1-5H3/t24-,36-/m0/s1 InChIKey AGIZNZOEGDEWTD-TVYQXRCNSA-N SMILES CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)F)C(=O)N(C)C ChEBI Ontology Outgoing (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100116) is a biphenyls (CHEBI:22888) Manual Xref Database LSM-11495 LINCS View more database links