compound 3 [PMID: 21650226]

Ligand id: 8745

Name: compound 3 [PMID: 21650226]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 80.7
Molecular weight 365.09
XLogP 5.08
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Cho H, Wu Y, Choi C-H. (2014)
Thiazolidinedione derivative and use thereof.
Patent number: US8637558 B2. Assignee: Industry-Academic Cooperation Foundation, Chosun University. Priority date: 30/12/2008. Publication date: 28/01/2014.
2. Wu Y, Karna S, Choi CH, Tong M, Tai HH, Na DH, Jang CH, Cho H. (2011)
Synthesis and biological evaluation of novel thiazolidinedione analogues as 15-hydroxyprostaglandin dehydrogenase inhibitors.
J. Med. Chem., 54 (14): 5260-4. [PMID:21650226]