compound 11h [PMID: 29808961]

Ligand id: 9970

Name: compound 11h [PMID: 29808961]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 88.56
Molecular weight 512.18
XLogP 4.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Li X, Zhang J, Zhao L, Yang Y, Zhang H, Zhou J. (2018)
Design, Synthesis, and in vitro Biological Evaluation of 3,5-Dimethylisoxazole Derivatives as BRD4 Inhibitors.
ChemMedChem, 13 (13): 1363-1368. [PMID:29808961]