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CHEBI:129668 - (3S)-4-[3-(1-cyclohexenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-2-methylsulfonyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:129668
ChEBI Name(3S)-4-[3-(1-cyclohexenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-2-methylsulfonyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC25H31N3O4S
Net Charge0
Average Mass469.607
Monoisotopic Mass469.20353
SMILESCN(C)C(=O)c1cc2c(c(-c3cccc(C4=CCCCC4)c3)n1)[C@H](CCO)N(S(C)(=O)=O)C2
InChIInChI=1S/C25H31N3O4S/c1-27(2)25(30)21-15-20-16-28(33(3,31)32)22(12-13-29)23(20)24(26-21)19-11-7-10-18(14-19)17-8-5-4-6-9-17/h7-8,10-11,14-15,22,29H,4-6,9,12-13,16H2,1-3H3/t22-/m0/s1
InChIKeyLPZDDWHKVMJKKY-QFIPXVFZSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-4-[3-(1-cyclohexenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-2-methylsulfonyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:129668) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-41219LINCS