compound 3 [PMID: 26191365]

Ligand id: 8936

Name: compound 3 [PMID: 26191365]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 59.97
Molecular weight 483.2
XLogP 2.78
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Karpov AS, Amiri P, Bellamacina C, Bellance MH, Breitenstein W, Daniel D, Denay R, Fabbro D, Fernandez C, Galuba I et al.. (2015)
Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
ACS Med Chem Lett6 (7): 776-81. [PMID:26191365]