compound 7 [PMID: 22464456]

Ligand id: 8172

Name: compound 7 [PMID: 22464456]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 92.94
Molecular weight 375.12
XLogP 4.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. McLean LR, Zhang Y, Zaidi N, Bi X, Wang R, Dharanipragada R, Jurcak JG, Gillespy TA, Zhao Z, Musick KY et al.. (2012)
X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg. Med. Chem. Lett.22 (9): 3296-300. [PMID:22464456]