General Information of the Compound
| Compound ID |
CP0887458
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| Compound Name |
2-(4-(3-chloro-5-fluorophenylamino)-6-(3-(1,1-difluoroethyl)-1H-pyrazol-1-yl)-1,3,5-triazin-2-ylamino)-1,1-difluoroethanol
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| Structure |
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| Formula |
C16H13ClF5N7O
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| Molecular Weight |
449.771
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| Canonical SMILES |
CC(F)(F)c1ccn(-c2nc(NCC(O)(F)F)nc(Nc3cc(F)cc(Cl)c3)n2)n1
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| InChI |
InChI=1S/C16H13ClF5N7O/c1-15(19,20)11-2-3-29(28-11)14-26-12(23-7-16(21,22)30)25-13(27-14)24-10-5-8(17)4-9(18)6-10/h2-6,30H,7H2,1H3,(H2,23,24,25,26,27)
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| InChIKey |
BHACTKOJOLSNGN-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