compound 50 [PMID: 24313754]

Ligand id: 8824

Name: compound 50 [PMID: 24313754]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 110.1
Molecular weight 438.15
XLogP 3.19
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Fedorov O, Lingard H, Wells C, Monteiro OP, Picaud S, Keates T, Yapp C, Philpott M, Martin SJ, Felletar I et al.. (2014)
[1,2,4]triazolo[4,3-a]phthalazines: inhibitors of diverse bromodomains.
J. Med. Chem., 57 (2): 462-76. [PMID:24313754]