General Information of the Compound
| Compound ID |
CP0180177
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| Compound Name |
1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C24H25F3N6O
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| Molecular Weight |
470.499
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| Canonical SMILES |
CNc1nc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C24H25F3N6O/c1-28-22-30-20(16-7-3-2-4-8-16)31-23(32-22)33-13-11-17(12-14-33)21(34)29-15-18-9-5-6-10-19(18)24(25,26)27/h2-10,17H,11-15H2,1H3,(H,29,34)(H,28,30,31,32)
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| InChIKey |
VXEBYYIBCRVIML-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