compound 8ic [PMID: 19081254]

Ligand id: 9478

Name: compound 8ic [PMID: 19081254]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 62.75
Molecular weight 467.33
XLogP 4.61
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Yokoyama K, Ishikawa N, Igarashi S, Kawano N, Masuda N, Hamaguchi W, Yamasaki S, Koganemaru Y, Hattori K, Miyazaki T et al.. (2009)
Potent and orally bioavailable CCR4 antagonists: Synthesis and structure-activity relationship study of 2-aminoquinazolines.
Bioorg. Med. Chem., 17 (1): 64-73. [PMID:19081254]