NS11757   Click here for help

GtoPdb Ligand ID: 2944

Synonyms: compound 39 [PMID: 18998663] [1] | NS-11757
Compound class: Synthetic organic
Comment: The reference cited for this compound specifies that it is racemic.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 40.71
Molecular weight 331.06
XLogP 5.29
No. Lipinski's rules broken 1
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Canonical SMILES Clc1cc2CCCC(c2cc1Cl)Nc1nc2c([nH]1)cccc2
Isomeric SMILES Clc1cc2CCCC(c2cc1Cl)Nc1nc2c([nH]1)cccc2
InChI InChI=1S/C17H15Cl2N3/c18-12-8-10-4-3-7-14(11(10)9-13(12)19)20-17-21-15-5-1-2-6-16(15)22-17/h1-2,5-6,8-9,14H,3-4,7H2,(H2,20,21,22)
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
KCa2.3 Rn Gating inhibitor - 8.1 pKd - 1
pKd 8.1 [1]