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CHEBI:99948 - (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:99948
ChEBI Name(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC28H29F4N3O3S
Net Charge0
Average Mass563.617
Monoisotopic Mass563.18658
SMILESCC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCC(F)(F)F)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@H]1CCO
InChIInChI=1S/C28H29F4N3O3S/c1-27(2,3)39(38)35-15-20-14-22(26(37)33-16-28(30,31)32)34-25(24(20)23(35)10-11-36)19-8-4-6-17(12-19)18-7-5-9-21(29)13-18/h4-9,12-14,23,36H,10-11,15-16H2,1-3H3,(H,33,37)/t23-,39-/m1/s1
InChIKeyWZDAFVZLMKVKDS-QFGCMMRWSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:99948) is a biphenyls (CHEBI:22888)
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