compound 25 [PMID: 17935989]

Ligand id: 8122

Name: compound 25 [PMID: 17935989]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 162.32
Molecular weight 471.09
XLogP 1.23
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Tao ZF, Chen Z, Bui MH, Kovar P, Johnson E, Bouska J, Zhang H, Rosenberg S, Sowin T, Lin NH. (2007)
Macrocyclic ureas as potent and selective Chk1 inhibitors: an improved synthesis, kinome profiling, structure-activity relationships, and preliminary pharmacokinetics.
Bioorg. Med. Chem. Lett.17 (23): 6593-601. [PMID:17935989]