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CHEBI:125238 - (3S,4S)-3-[4-(hydroxymethyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-(5-methyl-2-pyridinyl)-1-oxo-3H-isoquinoline-4-carboxamide

ChEBI IDCHEBI:125238
ChEBI Name(3S,4S)-3-[4-(hydroxymethyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-(5-methyl-2-pyridinyl)-1-oxo-3H-isoquinoline-4-carboxamide
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DownloadsMolfile
FormulaC33H33N3O4
Net Charge0
Average Mass535.644
Monoisotopic Mass535.24711
SMILESCOc1ccc(CCNC(=O)[C@@]2(C)c3ccccc3C(=O)N(c3ccc(C)cn3)[C@H]2c2ccc(CO)cc2)cc1
InChIInChI=1S/C33H33N3O4/c1-22-8-17-29(35-20-22)36-30(25-13-9-24(21-37)10-14-25)33(2,28-7-5-4-6-27(28)31(36)38)32(39)34-19-18-23-11-15-26(40-3)16-12-23/h4-17,20,30,37H,18-19,21H2,1-3H3,(H,34,39)/t30-,33-/m0/s1
InChIKeyVHWXMQJGUQQSOO-DITALETJSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,4S)-3-[4-(hydroxymethyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-(5-methyl-2-pyridinyl)-1-oxo-3H-isoquinoline-4-carboxamide (CHEBI:125238) is a isoquinolines (CHEBI:24922)
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LSM-36706LINCS