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CHEBI:125259 - (3R,4R)-3-[4-(hydroxymethyl)phenyl]-N-(3-methoxypropyl)-2-(5-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

ChEBI IDCHEBI:125259
ChEBI Name(3R,4R)-3-[4-(hydroxymethyl)phenyl]-N-(3-methoxypropyl)-2-(5-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
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DownloadsMolfile
FormulaC27H29N3O4
Net Charge0
Average Mass459.546
Monoisotopic Mass459.21581
SMILESCOCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccc(C)cn2)[C@H]1c1ccc(CO)cc1
InChIInChI=1S/C27H29N3O4/c1-18-8-13-23(29-16-18)30-25(20-11-9-19(17-31)10-12-20)24(26(32)28-14-5-15-34-2)21-6-3-4-7-22(21)27(30)33/h3-4,6-13,16,24-25,31H,5,14-15,17H2,1-2H3,(H,28,32)/t24-,25+/m1/s1
InChIKeyJVKHVZTXTKKTRY-RPBOFIJWSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,4R)-3-[4-(hydroxymethyl)phenyl]-N-(3-methoxypropyl)-2-(5-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (CHEBI:125259) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-36729LINCS