compound 1 [PMID: 20005102]

Ligand id: 8181

Name: compound 1 [PMID: 20005102]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 105.75
Molecular weight 463.2
XLogP 4.78
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Lin H, Yamashita DS, Zeng J, Xie R, Verma S, Luengo JI, Rhodes N, Zhang S, Robell KA, Choudhry AE et al.. (2010)
2,3,5-Trisubstituted pyridines as selective AKT inhibitors. Part II: Improved drug-like properties and kinase selectivity from azaindazoles.
Bioorg. Med. Chem. Lett.20 (2): 679-83. [PMID:20005102]