A-381393   Click here for help

GtoPdb Ligand ID: 8441

Synonyms: A 381393 | A-381,393
Compound class: Synthetic organic
Comment: A-381393 is reported as a potent and selective antagonist of the dopamine D4 receptor [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 35.16
Molecular weight 320.2
XLogP 3.88
No. Lipinski's rules broken 0
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Canonical SMILES Cc1ccc(cc1C)N1CCN(CC1)Cc1nc2c([nH]1)cccc2
Isomeric SMILES Cc1ccc(cc1C)N1CCN(CC1)Cc1nc2c([nH]1)cccc2
InChI InChI=1S/C20H24N4/c1-15-7-8-17(13-16(15)2)24-11-9-23(10-12-24)14-20-21-18-5-3-4-6-19(18)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
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Molecular structure representations generated using Open Babel