General Information of the Compound
| Compound ID |
CP0307804
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| Compound Name |
1-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C20H24F3N5O
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| Molecular Weight |
407.44
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| Canonical SMILES |
CNc1cc(nc(C)n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C20H24F3N5O/c1-13-26-17(24-2)11-18(27-13)28-9-7-14(8-10-28)19(29)25-12-15-5-3-4-6-16(15)20(21,22)23/h3-6,11,14H,7-10,12H2,1-2H3,(H,25,29)(H,24,26,27)
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| InChIKey |
RTBQCHQUSCVRES-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