General Information of the Compound
| Compound ID |
CP0455065
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| Compound Name |
6-(piperidin-1-yl)-4-(trifluoromethyl)nicotinonitrile
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| Structure |
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| Formula |
C12H12F3N3
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| Molecular Weight |
255.243
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| Canonical SMILES |
FC(F)(F)c1cc(ncc1C#N)N1CCCCC1
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| InChI |
InChI=1S/C12H12F3N3/c13-12(14,15)10-6-11(17-8-9(10)7-16)18-4-2-1-3-5-18/h6,8H,1-5H2
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| InChIKey |
PYMUVKDQQYJFHK-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