CH5132799

Ligand id: 7743

Name: CH5132799

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 135.81
Molecular weight 377.13
XLogP -0.82
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Ohwada J, Ebiike H, Kawada H, Tsukazaki M, Nakamura M, Miyazaki T, Morikami K, Yoshinari K, Yoshida M, Kondoh O et al.. (2011)
Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799.
Bioorg. Med. Chem. Lett.21 (6): 1767-72. [PMID:21316229]