CHEBI:97391 - (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-2-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:97391
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-2-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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FormulaC32H33FN4O3S
Net Charge0
Average Mass572.706
Monoisotopic Mass572.22574
SMILESCC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccccn3)nc(-c3cccc(-c4ccccc4F)c3)c2[C@@H]1CCO
InChIInChI=1S/C32H33FN4O3S/c1-32(2,3)41(40)37-20-23-18-27(31(39)35-19-24-11-6-7-15-34-24)36-30(29(23)28(37)14-16-38)22-10-8-9-21(17-22)25-12-4-5-13-26(25)33/h4-13,15,17-18,28,38H,14,16,19-20H2,1-3H3,(H,35,39)/t28-,41-/m0/s1
InChIKeyCHKDYTPBRLZLPJ-VELXTTODSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-2-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:97391) is a biphenyls (CHEBI:22888)
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