compound 10a [PMID: 1447738]

Ligand id: 8753

Name: compound 10a [PMID: 1447738]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 14
Topological polar surface area 104.74
Molecular weight 436.18
XLogP 5.23
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Bhagwat SS, Gude C, Boswell C, Contardo N, Cohen DS, Dotson R, Mathis J, Lee W, Furness P, Zoganas H. (1992)
Thromboxane receptor antagonism combined with thromboxane synthase inhibition. 4. 8-[[(4-Chlorophenyl)sulfonyl]amino]-4-(3-(3-pyridinyl) propyl)octanoic acid and analogs.
J. Med. Chem., 35 (23): 4373-83. [PMID:1447738]