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CHEBI:100359 - (3R)-2-[(R)-tert-butylsulfinyl]-N-ethyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:100359
ChEBI Name(3R)-2-[(R)-tert-butylsulfinyl]-N-ethyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC28H32FN3O3S
Net Charge0
Average Mass509.647
Monoisotopic Mass509.21484
SMILESCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(F)c4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2
InChIInChI=1S/C28H32FN3O3S/c1-5-30-27(34)23-16-21-17-32(36(35)28(2,3)4)24(12-13-33)25(21)26(31-23)20-10-6-8-18(14-20)19-9-7-11-22(29)15-19/h6-11,14-16,24,33H,5,12-13,17H2,1-4H3,(H,30,34)/t24-,36-/m1/s1
InChIKeyNQAKFRRPCXCRFS-GPJMPKJXSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R)-2-[(R)-tert-butylsulfinyl]-N-ethyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100359) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-11734LINCS