General Information of the Compound
| Compound ID |
CP0101879
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| Compound Name |
1-[4-ethyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C20H25F3N6O
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| Molecular Weight |
422.455
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| Canonical SMILES |
CCc1nc(NC)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C20H25F3N6O/c1-3-16-26-18(24-2)28-19(27-16)29-10-8-13(9-11-29)17(30)25-12-14-6-4-5-7-15(14)20(21,22)23/h4-7,13H,3,8-12H2,1-2H3,(H,25,30)(H,24,26,27,28)
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| InChIKey |
SEBKLSNTRNFDMI-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