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CHEBI:97230 - (3S)-2-[(S)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:97230
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC30H34FN3O3S
Net Charge0
Average Mass535.685
Monoisotopic Mass535.23049
SMILESCC(C)(C)[S@](=O)N1Cc2cc(C(=O)NC3CCC3)nc(-c3cccc(-c4ccccc4F)c3)c2[C@@H]1CCO
InChIInChI=1S/C30H34FN3O3S/c1-30(2,3)38(37)34-18-21-17-25(29(36)32-22-10-7-11-22)33-28(27(21)26(34)14-15-35)20-9-6-8-19(16-20)23-12-4-5-13-24(23)31/h4-6,8-9,12-13,16-17,22,26,35H,7,10-11,14-15,18H2,1-3H3,(H,32,36)/t26-,38-/m0/s1
InChIKeyPZROTEJUFYWVHW-WTMVGVENSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:97230) is a biphenyls (CHEBI:22888)
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