compound 41 [PMID: 25000588]

Ligand id: 9349

Name: compound 41 [PMID: 25000588]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 77.99
Molecular weight 369.14
XLogP 2.88
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. George DM, Breinlinger EC, Friedman M, Zhang Y, Wang J, Argiriadi M, Bansal-Pakala P, Barth M, Duignan DB, Honore P et al.. (2015)
Discovery of selective and orally bioavailable protein kinase Cθ (PKCθ) inhibitors from a fragment hit.
J. Med. Chem., 58 (1): 222-36. [PMID:25000588]