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CHEBI:101346 - (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:101346
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC29H34FN3O3S
Net Charge0
Average Mass523.674
Monoisotopic Mass523.23049
SMILESCCCNC(=O)c1cc2c(c(-c3cccc(-c4ccc(F)cc4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2
InChIInChI=1S/C29H34FN3O3S/c1-5-14-31-28(35)24-17-22-18-33(37(36)29(2,3)4)25(13-15-34)26(22)27(32-24)21-8-6-7-20(16-21)19-9-11-23(30)12-10-19/h6-12,16-17,25,34H,5,13-15,18H2,1-4H3,(H,31,35)/t25-,37-/m0/s1
InChIKeyHVPPUANJBVTFMA-RSUXDYMJSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101346) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-12711LINCS