General Information of the Compound
| Compound ID |
CP0107687
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| Compound Name |
1-[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C21H27F3N6O
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| Molecular Weight |
436.482
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| Canonical SMILES |
CC(C)Nc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C21H27F3N6O/c1-13(2)26-19-27-14(3)28-20(29-19)30-10-8-15(9-11-30)18(31)25-12-16-6-4-5-7-17(16)21(22,23)24/h4-7,13,15H,8-12H2,1-3H3,(H,25,31)(H,26,27,28,29)
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| InChIKey |
JQHCYQUHJQOVNX-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