EC18   Click here for help

GtoPdb Ligand ID: 6262

Compound class: Synthetic organic
Comment: EC18 selectively blocks HCN4 channel currents. Its power to discriminate between HCN channel isoforms makes it an ideal chemical probe to stiudy the physiological and pathological roles of HCN4 channel currents in cells and tissues [2].
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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 9
Topological polar surface area 60.47
Molecular weight 496.29
XLogP 3.64
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccc(cc1OC)CCN(C1CCCC(C1)N1CCc2c(CC1=O)cc(c(c2)OC)OC)C
Isomeric SMILES COc1ccc(cc1OC)CCN(C1CCCC(C1)N1CCc2c(CC1=O)cc(c(c2)OC)OC)C
InChI InChI=1S/C29H40N2O5/c1-30(13-11-20-9-10-25(33-2)26(15-20)34-3)23-7-6-8-24(19-23)31-14-12-21-16-27(35-4)28(36-5)17-22(21)18-29(31)32/h9-10,15-17,23-24H,6-8,11-14,18-19H2,1-5H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Database Links Click here for help
GtoPdb PubChem SID 178102882
PubChem CID 50902958
Search Google for chemical match using the InChIKey IUAVZEYOWYFRAS-UHFFFAOYSA-N
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