compound 66 [PMID: 19788238]

Ligand id: 8141

Name: compound 66 [PMID: 19788238]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 99.93
Molecular weight 417.14
XLogP 2.99
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Lafleur K, Huang D, Zhou T, Caflisch A, Nevado C. (2009)
Structure-based optimization of potent and selective inhibitors of the tyrosine kinase erythropoietin producing human hepatocellular carcinoma receptor B4 (EphB4).
J. Med. Chem.52 (20): 6433-46. [PMID:19788238]