compound 9 [PMID: 23517011]

Ligand id: 7517

Name: compound 9 [PMID: 23517011]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 72.56
Molecular weight 337.13
XLogP 5.23
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Hewings DS, Fedorov O, Filippakopoulos P, Martin S, Picaud S, Tumber A, Wells C, Olcina MM, Freeman K, Gill A et al.. (2013)
Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.
J. Med. Chem., 56 (8): 3217-27. [PMID:23517011]