Ligand Id: 674
Ligand name FR173657

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 113.52
Molecular weight 591.14
XLogP 4.97
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
IUPAC Name
(E)-3-(6-acetamidopyridin-3-yl)-N-[2-[[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methylamino]-2-oxoethyl]prop-2-enamide
Synonyms
(E)-3-(6-acetamido-3-pyridyl)-N-(N-[2,4-dichloro-3{(2-methyl-8-quinolinyl)oxymethyl} phenyl]-N-methylaminocarbonyl-methyl)acrylamide
(E)-3-(6-acetamidopyridin-3-yl)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]prop-2-enamide
Database Links
BindingDB Ligand 50067301
ChEMBL Ligand 317036
PubChem CID 5311108
Search on ChemSpider XCKWRUGRUFVXGC-NTEUORMPSA-N
ZINC ZINC01893259

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org