Ligand id: 3368

Name: CP105696

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 66.76
Molecular weight 428.2
XLogP 9.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Showell HJ, Pettipher ER, Cheng JB, Breslow R, Conklyn MJ, Farrell CA, Hingorani GP, Salter ED, Hackman BC, Wimberly DJ. (1995)
The in vitro and in vivo pharmacologic activity of the potent and selective leukotriene B4 receptor antagonist CP-105696.
J. Pharmacol. Exp. Ther., 273 (1): 176-84. [PMID:7714764]