MetaADEDB 2.0 @ LMMD
MS 857
(NVTWQACIVZHUPA-UHFFFAOYSA-N)
Structure
SMILES
CC(=O)c1c(=O)[nH]c(c2c1CCC(C2)c1ccncc1)C
Molecular Formula:
C17H18N2O2
Molecular Weight:
282.337
Log P:
2.5534
Hydrogen Bond Acceptor:
3
Hydrogen Bond Donor:
1
TPSA:
62.82
CAS Number(s):
107189-96-8
Synonym(s)
1.
MS 857
2.
4-acetyl-1-methyl-7-(4-pyridyl)-5,6,7,8-tetrahydro-3(2H)-isoquinolinone
3.
MS-857
External Link(s)
MeSHC059136
PubChem Compound129517
BindingDB50228048
CHEMBLCHEMBL116992
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Heart failure2468058CTD
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