General Information of the Compound
| Compound ID |
CP0851745
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| Compound Name |
2-(4-(3,5-difluorophenylamino)-6-(3-(trifluoromethyl)-1H-pyrazol-1-yl)-1,3,5-triazin-2-ylamino)-1,1-difluoroethanol
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| Structure |
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| Formula |
C15H10F7N7O
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| Molecular Weight |
437.279
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| Canonical SMILES |
OC(F)(F)CNc1nc(Nc2cc(F)cc(F)c2)nc(-n2ccc(C(F)(F)F)n2)n1
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| InChI |
InChI=1S/C15H10F7N7O/c16-7-3-8(17)5-9(4-7)24-12-25-11(23-6-14(18,19)30)26-13(27-12)29-2-1-10(28-29)15(20,21)22/h1-5,30H,6H2,(H2,23,24,25,26,27)
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| InChIKey |
NWWKVNSSEZNRHV-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
Cell-based Assay
Protein ID: PT03648, Isocitrate dehydrogenase [NADP], mitochondrial