compound 15 [PMID: 18178086]

Ligand id: 6993

Name: compound 15 [PMID: 18178086]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 80.91
Molecular weight 495.11
XLogP 4.58
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Beck HP, Kohn T, Rubenstein S, Hedberg C, Schwandner R, Hasslinger K, Dai K, Li C, Liang L, Wesche H et al.. (2008)
Discovery of potent LPA2 (EDG4) antagonists as potential anticancer agents.
Bioorg. Med. Chem. Lett., 18 (3): 1037-41. [PMID:18178086]