compound 14 [PMID: 19831390]

Ligand id: 8151

Name: compound 14 [PMID: 19831390]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 96.23
Molecular weight 452.11
XLogP 4.16
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Harrison BA, Whitlock NA, Voronkov MV, Almstead ZY, Gu KJ, Mabon R, Gardyan M, Hamman BD, Allen J, Gopinathan S et al.. (2009)
Novel class of LIM-kinase 2 inhibitors for the treatment of ocular hypertension and associated glaucoma.
J. Med. Chem., 52 (21): 6515-8. [PMID:19831390]