compound 15 [PMID: 24900237]

Ligand id: 8220

Name: compound 15 [PMID: 24900237]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 122.47
Molecular weight 496.2
XLogP 1.96
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
References
1. Ott GR, Tripathy R, Cheng M, McHugh R, Anzalone AV, Underiner TL, Curry MA, Quail MR, Lu L, Wan W et al.. (2010)
Discovery of a potent inhibitor of anaplastic lymphoma kinase with in vivo antitumor activity.
ACS Med Chem Lett, 1 (9): 493-8. [PMID:24900237]