compound 17d [PMID: 23099093]

Ligand id: 8196

Name: compound 17d [PMID: 23099093]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 91.41
Molecular weight 450.27
XLogP 3.2
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. McIver EG, Bryans J, Birchall K, Chugh J, Drake T, Lewis SJ, Osborne J, Smiljanic-Hurley E, Tsang W, Kamal A et al.. (2012)
Synthesis and structure-activity relationships of a novel series of pyrimidines as potent inhibitors of TBK1/IKK╬Á kinases.
Bioorg. Med. Chem. Lett., 22 (23): 7169-73. [PMID:23099093]