General Information of the Compound
| Compound ID |
CP0533054
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| Compound Name |
2-oxo-4-(4-phenylpiperidin-1-yl)-1-(4,4,4-trifluorobutyl)pyridine-3-carbonitrile
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| Structure |
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| Formula |
C21H22F3N3O
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| Molecular Weight |
389.421
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| Canonical SMILES |
FC(F)(F)CCCn1ccc(N2CCC(CC2)c2ccccc2)c(C#N)c1=O
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| InChI |
InChI=1S/C21H22F3N3O/c22-21(23,24)10-4-11-27-14-9-19(18(15-25)20(27)28)26-12-7-17(8-13-26)16-5-2-1-3-6-16/h1-3,5-6,9,14,17H,4,7-8,10-13H2
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| InChIKey |
KTXWFEAGWFDBTJ-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