retigabine derivative 10g   Click here for help

GtoPdb Ligand ID: 11479

Synonyms: compound 10g [PMID: 30655942]
Compound class: Synthetic organic
Comment: Compound 10g is a potent Kv7.4 and Kv7.5 channel agonist [1]. It does not potentiate activity of Kv7.1 or Kv7.2 channels.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 79.9
Molecular weight 441.21
XLogP 4.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCOC(=O)Nc1ccc(cc1NC(=O)OC(C)(C)C)N(Cc1ccc(cc1)F)CC#C
Isomeric SMILES CCOC(=O)Nc1ccc(cc1NC(=O)OC(C)(C)C)N(Cc1ccc(cc1)F)CC#C
InChI InChI=1S/C24H28FN3O4/c1-6-14-28(16-17-8-10-18(25)11-9-17)19-12-13-20(26-22(29)31-7-2)21(15-19)27-23(30)32-24(3,4)5/h1,8-13,15H,7,14,16H2,2-5H3,(H,26,29)(H,27,30)
InChI Key FWQHRZXEQNUCSY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
tert-butyl N-[2-(ethoxycarbonylamino)-5-[(4-fluorophenyl)methyl-prop-2-ynylamino]phenyl]carbamate
Synonyms Click here for help
compound 10g [PMID: 30655942]
Database Links Click here for help
BindingDB Ligand 50521289
ChEMBL Ligand CHEMBL4588394
GtoPdb PubChem SID 440816847
PubChem CID 155567226
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