compound 4d [PMID: 21851057]

Ligand id: 7516

Name: compound 4d [PMID: 21851057]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 55.49
Molecular weight 261.14
XLogP 2.95
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Hewings DS, Wang M, Philpott M, Fedorov O, Uttarkar S, Filippakopoulos P, Picaud S, Vuppusetty C, Marsden B, Knapp S et al.. (2011)
3,5-dimethylisoxazoles act as acetyl-lysine-mimetic bromodomain ligands.
J. Med. Chem., 54 (19): 6761-70. [PMID:21851057]