General Information of the Compound
| Compound ID |
CP0401750
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| Compound Name |
4-methyl-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 |
C25H27N5O3
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| Molecular Weight |
445.523
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1CCC1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
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| InChI |
InChI=1S/C25H27N5O3/c1-17-20(6-9-22-23(17)15-33-25(22)32)5-2-18-10-12-29(13-11-18)24(31)14-19-3-7-21(8-4-19)30-16-26-27-28-30/h3-4,6-9,16,18H,2,5,10-15H2,1H3
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| InChIKey |
ITDVYOUBQOMQIA-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