compound 8e [PMID: 24432909]

Ligand id: 8137

Name: compound 8e [PMID: 24432909]

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 160.44
Molecular weight 470.15
XLogP 1.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Huang Q, Johnson TW, Bailey S, Brooun A, Bunker KD, Burke BJ, Collins MR, Cook AS, Cui JJ, Dack KN et al.. (2014)
Design of potent and selective inhibitors to overcome clinical anaplastic lymphoma kinase mutations resistant to crizotinib.
J. Med. Chem.57 (4): 1170-87. [PMID:24432909]