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CHEBI:125241 - (3R,4R)-N-[3-(dimethylamino)propyl]-3-[4-(hydroxymethyl)phenyl]-2-(5-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

ChEBI IDCHEBI:125241
ChEBI Name(3R,4R)-N-[3-(dimethylamino)propyl]-3-[4-(hydroxymethyl)phenyl]-2-(5-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
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DownloadsMolfile
FormulaC28H32N4O3
Net Charge0
Average Mass472.589
Monoisotopic Mass472.24744
SMILESCc1ccc(N2C(=O)c3ccccc3[C@@H](C(=O)NCCCN(C)C)[C@@H]2c2ccc(CO)cc2)nc1
InChIInChI=1S/C28H32N4O3/c1-19-9-14-24(30-17-19)32-26(21-12-10-20(18-33)11-13-21)25(27(34)29-15-6-16-31(2)3)22-7-4-5-8-23(22)28(32)35/h4-5,7-14,17,25-26,33H,6,15-16,18H2,1-3H3,(H,29,34)/t25-,26+/m1/s1
InChIKeyWIRJRRPGDKKOKL-FTJBHMTQSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,4R)-N-[3-(dimethylamino)propyl]-3-[4-(hydroxymethyl)phenyl]-2-(5-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (CHEBI:125241) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-36709LINCS