compound 69 [PMID: 19136975]

Ligand id: 8782

Name: compound 69 [PMID: 19136975]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 64.68
Molecular weight 462.18
XLogP 6.43
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Scott SA, Selvy PE, Buck JR, Cho HP, Criswell TL, Thomas AL, Armstrong MD, Arteaga CL, Lindsley CW, Brown HA. (2009)
Design of isoform-selective phospholipase D inhibitors that modulate cancer cell invasiveness.
Nat. Chem. Biol., 5 (2): 108-17. [PMID:19136975]