General Information of the Compound
| Compound ID |
CP0958663
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| Compound Name |
2-(pyridin-2-yl)-4-(2,2,2-trifluoroethoxy)-6-((2,3,4-trifluorophenoxy)methyl)pyrimidine
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| Structure |
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| Formula |
C18H11F6N3O2
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| Molecular Weight |
415.293
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| Canonical SMILES |
Fc1ccc(OCc2cc(OCC(F)(F)F)nc(-c3ccccn3)n2)c(F)c1F
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| InChI |
InChI=1S/C18H11F6N3O2/c19-11-4-5-13(16(21)15(11)20)28-8-10-7-14(29-9-18(22,23)24)27-17(26-10)12-3-1-2-6-25-12/h1-7H,8-9H2
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| InChIKey |
AUAOGLNQKWNYCN-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