compound 33 [PMID: 26230603]

Ligand id: 8732

Name: compound 33 [PMID: 26230603]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 117.8
Molecular weight 420.18
XLogP 1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Bamborough P, Chung CW, Furze RC, Grandi P, Michon AM, Sheppard RJ, Barnett H, Diallo H, Dixon DP, Douault C et al.. (2015)
Structure-Based Optimization of Naphthyridones into Potent ATAD2 Bromodomain Inhibitors.
J. Med. Chem., 58 (15): 6151-78. [PMID:26230603]