PSB-12062   Click here for help

GtoPdb Ligand ID: 9542

Synonyms: 10-tosyl-10H-phenoxazine | compound 21 [PMID: 23075067]
Compound class: Synthetic organic
Comment: PSB-12062 is a P2X4 receptor antagonist with an allosteric mode of action [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 0
Rotatable bonds 2
Topological polar surface area 54.99
Molecular weight 337.08
XLogP 4.86
No. Lipinski's rules broken 0
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Canonical SMILES Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2c1cccc2
Isomeric SMILES Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2c1cccc2
InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3
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Molecular structure representations generated using Open Babel