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CHEBI:101151 - (3S)-2-[(S)-tert-butylsulfinyl]-N-ethyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:101151
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-N-ethyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC29H35N3O4S
Net Charge0
Average Mass521.683
Monoisotopic Mass521.23483
SMILESCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2
InChIInChI=1S/C29H35N3O4S/c1-6-30-28(34)24-17-22-18-32(37(35)29(2,3)4)25(13-14-33)26(22)27(31-24)21-11-7-9-19(15-21)20-10-8-12-23(16-20)36-5/h7-12,15-17,25,33H,6,13-14,18H2,1-5H3,(H,30,34)/t25-,37-/m0/s1
InChIKeyYHQIULRSPQCSKT-RSUXDYMJSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-N-ethyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101151) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-12520LINCS