compound 8h [PMID: 21561767]

Ligand id: 8170

Name: compound 8h [PMID: 21561767]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 102.73
Molecular weight 582.26
XLogP 4.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Thomas M, Huang WS, Wen D, Zhu X, Wang Y, Metcalf CA, Liu S, Chen I, Romero J, Zou D et al.. (2011)
Discovery of 5-(arenethynyl) hetero-monocyclic derivatives as potent inhibitors of BCR-ABL including the T315I gatekeeper mutant.
Bioorg. Med. Chem. Lett., 21 (12): 3743-8. [PMID:21561767]