General Information of the Compound
| Compound ID |
CP0084940
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| Compound Name |
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C20H25F3N6O2
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| Molecular Weight |
438.454
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| Canonical SMILES |
CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(OC)cc1C(F)(F)F
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| InChI |
InChI=1S/C20H25F3N6O2/c1-12-26-18(24-2)28-19(27-12)29-8-6-13(7-9-29)17(30)25-11-14-4-5-15(31-3)10-16(14)20(21,22)23/h4-5,10,13H,6-9,11H2,1-3H3,(H,25,30)(H,24,26,27,28)
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| InChIKey |
TZYZYEHSCMXUFK-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