Ligand Id: 2592
Ligand name L735821

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 61.77
Molecular weight 463.09
XLogP 7.15
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-(2,4-dichlorophenyl)-N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]prop-2-enamide
Synonyms
(2E)-3-(2,4-dichlorophenyl)-N-[(3R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]prop-2-enamide
C13853
Database Links
BindingDB Ligand 50061218
ChEMBL Ligand 303776
PubChem CID 5282279
Search on ChemSpider BYULDQRRUINTAA-SWDTZWKESA-N
ZINC ZINC03812120

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