EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:102017 - (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:102017
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
Stars
DownloadsMolfile
FormulaC29H34FN3O3S
Net Charge0
Average Mass523.674
Monoisotopic Mass523.23049
SMILESCCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(F)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2
InChIInChI=1S/C29H34FN3O3S/c1-5-13-31-28(35)24-17-22-18-33(37(36)29(2,3)4)25(12-14-34)26(22)27(32-24)21-10-6-8-19(15-21)20-9-7-11-23(30)16-20/h6-11,15-17,25,34H,5,12-14,18H2,1-4H3,(H,31,35)/t25-,37-/m0/s1
InChIKeyFSCHPCZBUZXFPL-RSUXDYMJSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:102017) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-13378LINCS