CHEBI:102279 - (3R)-2-[(R)-tert-butylsulfinyl]-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI Name (3R)-2-[(R)-tert-butylsulfinyl]-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
ChEBI ID CHEBI:102279
Stars This entity has been manually annotated by a third party.
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Formula C32H33FN4O3S
Net Charge 0
Average Mass 572.695
Monoisotopic Mass 572.22574
InChI InChI=1S/C32H33FN4O3S/c1-32(2,3)41(40)37-20-25-18-27(31(39)35-19-24-7-4-5-10-26(24)33)36-30(29(25)28(37)13-16-38)23-9-6-8-22(17-23)21-11-14-34-15-12-21/h4-12,14-15,17-18,28,38H,13,16,19-20H2,1-3H3,(H,35,39)/t28-,41-/m1/s1
InChIKey SOFJTHGIOAEHFZ-GIEABIOQSA-N
SMILES CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)NCC5=CC=CC=C5F
ChEBI Ontology
Outgoing (3R)-2-[(R)-tert-butylsulfinyl]-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:102279) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-13632 LINCS
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