Ligand id: 9380

Name: BIX02189

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 64.68
Molecular weight 440.22
XLogP 5.57
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Tatake RJ, O'Neill MM, Kennedy CA, Wayne AL, Jakes S, Wu D, Kugler Jr SZ, Kashem MA, Kaplita P, Snow RJ. (2008)
Identification of pharmacological inhibitors of the MEK5/ERK5 pathway.
Biochem. Biophys. Res. Commun., 377 (1): 120-5. [PMID:18834865]