compound 35 [PMID: 20684608]

Ligand id: 8209

Name: compound 35 [PMID: 20684608]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 91.51
Molecular weight 475.26
XLogP 3.04
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Fang X, Yin Y, Chen YT, Yao L, Wang B, Cameron MD, Lin L, Khan S, Ruiz C, Schröter T et al.. (2010)
Tetrahydroisoquinoline derivatives as highly selective and potent Rho kinase inhibitors.
J. Med. Chem., 53 (15): 5727-37. [PMID:20684608]