Ligand id: 3503

Name: GV150013

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 81.75
Molecular weight 534.26
XLogP 6.63
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Ursini A, Capelli AM, Carr RA, CassarĂ  P, Corsi M, Curcuruto O, Curotto G, Dal Cin M, Davalli S, Donati D et al.. (2000)
Synthesis and SAR of new 5-phenyl-3-ureido-1,5-benzodiazepines as cholecystokinin-B receptor antagonists.
J. Med. Chem., 43 (20): 3596-613. [PMID:11020274]