compound 11j [PMID: 23021994]

Ligand id: 8827

Name: compound 11j [PMID: 23021994]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 137.59
Molecular weight 565.17
XLogP 4.5
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Gopalsamy A, Bennett EM, Shi M, Zhang WG, Bard J, Yu K. (2012)
Identification of pyrimidine derivatives as hSMG-1 inhibitors.
Bioorg. Med. Chem. Lett.22 (21): 6636-41. [PMID:23021994]