General Information of the Compound
| Compound ID |
CP0281587
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| Compound Name |
4-(2,2-difluoroethylamino)-6-(3,5-difluorophenylamino)-1,3,5-triazine-2-carbonitrile
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| Structure |
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| Formula |
C12H8F4N6
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| Molecular Weight |
312.23
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| Canonical SMILES |
FC(F)CNc1nc(Nc2cc(F)cc(F)c2)nc(n1)C#N
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| InChI |
InChI=1S/C12H8F4N6/c13-6-1-7(14)3-8(2-6)19-12-21-10(4-17)20-11(22-12)18-5-9(15)16/h1-3,9H,5H2,(H2,18,19,20,21,22)
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| InChIKey |
VCHWTZGSALOUAW-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