CHEBI:102794 - (3S)-2-[(S)-tert-butylsulfinyl]-N-ethyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI Name (3S)-2-[(S)-tert-butylsulfinyl]-N-ethyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
ChEBI ID CHEBI:102794
Stars This entity has been manually annotated by a third party.
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Formula C28H32FN3O3S
Net Charge 0
Average Mass 509.638
Monoisotopic Mass 509.21484
InChI InChI=1S/C28H32FN3O3S/c1-5-30-27(34)23-16-21-17-32(36(35)28(2,3)4)24(12-13-33)25(21)26(31-23)20-10-6-8-18(14-20)19-9-7-11-22(29)15-19/h6-11,14-16,24,33H,5,12-13,17H2,1-4H3,(H,30,34)/t24-,36-/m0/s1
InChIKey NQAKFRRPCXCRFS-TVYQXRCNSA-N
SMILES CCNC(=O)C1=NC(=C2[C@@H](N(CC2=C1)[S@@](=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F
ChEBI Ontology
Outgoing (3S)-2-[(S)-tert-butylsulfinyl]-N-ethyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:102794) is a biphenyls (CHEBI:22888)
Manual Xref Database
LSM-14140 LINCS
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