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CHEBI:98591 - (3S)-2-[(S)-tert-butylsulfinyl]-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:98591
ChEBI Name(3S)-2-[(S)-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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DownloadsMolfile
FormulaC32H33FN4O3S
Net Charge0
Average Mass572.706
Monoisotopic Mass572.22574
SMILESCC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccccc3F)nc(-c3cccc(-c4ccncc4)c3)c2[C@@H]1CCO
InChIInChI=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-/m0/s1
InChIKeySOFJTHGIOAEHFZ-VELXTTODSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:98591) is a phenylpyridine (CHEBI:38193)
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