General Information of the Compound
| Compound ID |
CP0108552
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| Compound Name |
4-methyl-5-[2-[4-[2-[3-methyl-5-(tetrazol-1-yl)pyridin-2-yl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C24H27N7O3
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| Molecular Weight |
461.526
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| Canonical SMILES |
Cc1cc(cnc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1
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| InChI |
InChI=1S/C24H27N7O3/c1-16-11-19(31-15-26-27-28-31)13-25-22(16)12-23(32)30-9-7-29(8-10-30)6-5-18-3-4-20-21(17(18)2)14-34-24(20)33/h3-4,11,13,15H,5-10,12,14H2,1-2H3
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| InChIKey |
RZUWLMYXOXGJLS-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: PT03661, ATP-sensitive inward rectifier potassium channel 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2