Ligand id: 865

Name: GW-5823

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 98.84
Molecular weight 587.25
XLogP 5.45
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Henke BR, Aquino CJ, Birkemo LS, Croom DK, Dougherty Jr RW, Ervin GN, Grizzle MK, Hirst GC, James MK, Johnson MF et al.. (1997)
Optimization of 3-(1H-indazol-3-ylmethyl)-1,5-benzodiazepines as potent, orally active CCK-A agonists.
J. Med. Chem., 40 (17): 2706-25. [PMID:9276016]