compound 25b [PMID: 22564207]

Ligand id: 8139

Name: compound 25b [PMID: 22564207]

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 114.63
Molecular weight 538.25
XLogP 2.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Gingrich DE, Lisko JG, Curry MA, Cheng M, Quail M, Lu L, Wan W, Albom MS, Angeles TS, Aimone LD et al.. (2012)
Discovery of an orally efficacious inhibitor of anaplastic lymphoma kinase.
J. Med. Chem., 55 (10): 4580-93. [PMID:22564207]