General Information of the Compound
| Compound ID |
CP0414598
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| Compound Name |
4-methyl-5-[2-[4-[2-[4-methyl-6-(tetrazol-1-yl)pyridin-3-yl]propanoyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C25H29N7O3
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| Molecular Weight |
475.553
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| Canonical SMILES |
CC(C(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)c1cnc(cc1C)-n1cnnn1
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| InChI |
InChI=1S/C25H29N7O3/c1-16-12-23(32-15-27-28-29-32)26-13-21(16)18(3)24(33)31-10-8-30(9-11-31)7-6-19-4-5-20-22(17(19)2)14-35-25(20)34/h4-5,12-13,15,18H,6-11,14H2,1-3H3
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| InChIKey |
BUKUMBXSVUEGRL-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: PT03661, ATP-sensitive inward rectifier potassium channel 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2