compound 5j [PMID: 9216829]

Ligand id: 3099

Name: compound 5j [PMID: 9216829]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 20
Topological polar surface area 133.68
Molecular weight 706.33
XLogP 6.59
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Fung AK, Baker WR, Fakhoury S, Stein HH, Cohen J, Donner BG, Garvey DS, Spina KP, Rosenberg SH. (1997)
(1 alpha, 2 beta, 3 beta, 4 alpha)-1,2-bis[N-propyl-N-(4-phenoxybenzyl) amino]carbonyl]cyclobutane-3,4-dicarboxylic acid (A-87049): a novel potent squalene synthase inhibitor.
J. Med. Chem., 40 (14): 2123-5. [PMID:9216829]