General Information of the Compound
| Compound ID |
CP0459499
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| Compound Name |
5-[2-[1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C24H25N5O3
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| Molecular Weight |
431.496
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| Canonical SMILES |
O=C(Cc1ccc(cc1)-n1cnnn1)N1CCC(CCc2ccc3C(=O)OCc3c2)CC1
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| InChI |
InChI=1S/C24H25N5O3/c30-23(14-19-3-6-21(7-4-19)29-16-25-26-27-29)28-11-9-17(10-12-28)1-2-18-5-8-22-20(13-18)15-32-24(22)31/h3-8,13,16-17H,1-2,9-12,14-15H2
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| InChIKey |
VGZWIKVDBMDIPI-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