General Information of the Compound
| Compound ID |
CP0442865
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| Compound Name |
5-[2-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C22H25N3O4
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| Molecular Weight |
395.459
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)cc1
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| InChI |
InChI=1S/C22H25N3O4/c26-22-21-6-3-18(15-19(21)16-29-22)8-10-24-13-11-23(12-14-24)9-7-17-1-4-20(5-2-17)25(27)28/h1-6,15H,7-14,16H2
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| InChIKey |
LJCOFEDAMMEFHX-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