CHEBI:125241 - (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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ChEBI Name (3R,4R)-N-[3-(dimethylamino)propyl]-3-[4-(hydroxymethyl)phenyl]-2-(5-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
ChEBI ID CHEBI:125241
Stars This entity has been manually annotated by a third party.
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Formula C28H32N4O3
Net Charge 0
Average Mass 472.580
Monoisotopic Mass 472.24744
InChI InChI=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
InChIKey WIRJRRPGDKKOKL-FTJBHMTQSA-N
SMILES CC1=CN=C(C=C1)N2[C@H]([C@@H](C3=CC=CC=C3C2=O)C(=O)NCCCN(C)C)C4=CC=C(C=C4)CO
ChEBI Ontology
Outgoing (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 Xref Database
LSM-36709 LINCS
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