Ligand id: 3472

Name: [125I]PD142308    

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 13
Topological polar surface area 146.54
Molecular weight 698.2
XLogP 5.7
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Horwell DC, Hunter JC, Kneen CO, Pritchard MC. (1995)
Synthesis of novel iodinated radioligands with high affinity and selectivity for CCK-B/gastrin receptors.
Bioorg. Med. Chem. Lett., 5 (21): 2501-2506.