compound 8e [PMID: 23044371]

Ligand id: 8780

Name: compound 8e [PMID: 23044371]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 81.7
Molecular weight 499.12
XLogP 8.03
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Chen Y, Wen D, Huang Z, Huang M, Luo Y, Liu B, Lu H, Wu Y, Peng Y, Zhang J. (2012)
2-(4-Chlorophenyl)-2-oxoethyl 4-benzamidobenzoate derivatives, a novel class of SENP1 inhibitors: Virtual screening, synthesis and biological evaluation.
Bioorg. Med. Chem. Lett., 22 (22): 6867-70. [PMID:23044371]