General Information of the Compound
| Compound ID |
CP0431398
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| Compound Name |
4-[2-[4-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-2-methoxybenzonitrile
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| Structure |
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| Formula |
C25H29N3O4
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| Molecular Weight |
435.524
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| Canonical SMILES |
COc1cc(CCN2CCN(CC(O)c3ccc4C(=O)OCc4c3C)CC2)ccc1C#N
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| InChI |
InChI=1S/C25H29N3O4/c1-17-20(5-6-21-22(17)16-32-25(21)30)23(29)15-28-11-9-27(10-12-28)8-7-18-3-4-19(14-26)24(13-18)31-2/h3-6,13,23,29H,7-12,15-16H2,1-2H3
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| InChIKey |
ABQYVJPTPMJTBN-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03667, ATP-sensitive inward rectifier potassium channel 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2