General Information of the Compound
| Compound ID |
CP0456504
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| Compound Name |
2-methoxy-4-[1-[4-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]propan-2-yl]benzonitrile
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| Structure |
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| Formula |
C26H31N3O3
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| Molecular Weight |
433.552
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| Canonical SMILES |
COc1cc(ccc1C#N)C(C)CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1
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| InChI |
InChI=1S/C26H31N3O3/c1-18(21-4-5-22(15-27)25(14-21)31-3)16-29-12-10-28(11-13-29)9-8-20-6-7-23-24(19(20)2)17-32-26(23)30/h4-7,14,18H,8-13,16-17H2,1-3H3
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| InChIKey |
FOIUHMWZDCXFLU-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