General Information of the Compound
| Compound ID |
CP0395891
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| Compound Name |
4-[2-[4-[2-ethoxy-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 |
C27H33N3O4
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| Molecular Weight |
463.578
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| Canonical SMILES |
CCOC(CN1CCN(CCc2ccc(C#N)c(OC)c2)CC1)c1ccc2C(=O)OCc2c1C
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| InChI |
InChI=1S/C27H33N3O4/c1-4-33-26(22-7-8-23-24(19(22)2)18-34-27(23)31)17-30-13-11-29(12-14-30)10-9-20-5-6-21(16-28)25(15-20)32-3/h5-8,15,26H,4,9-14,17-18H2,1-3H3
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| InChIKey |
RSBBJPVZLDQMDD-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