General Information of the Compound
| Compound ID |
CP0859550
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| Compound Name |
2-methyl-2-(4-(6-(trifluoromethyl)pyridin-2-yl)-6-(2-(trifluoromethyl)pyridin-4-ylamino)-1,3,5-triazin-2-ylamino)propanenitrile
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| Structure |
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| Formula |
C19H14F6N8
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| Molecular Weight |
468.365
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| Canonical SMILES |
CC(C)(C#N)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1
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| InChI |
InChI=1S/C19H14F6N8/c1-17(2,9-26)33-16-31-14(11-4-3-5-12(29-11)18(20,21)22)30-15(32-16)28-10-6-7-27-13(8-10)19(23,24)25/h3-8H,1-2H3,(H2,27,28,30,31,32,33)
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| InChIKey |
WVGBTQYOCXBJCI-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT03648, Isocitrate dehydrogenase [NADP], mitochondrial