General Information of the Compound
| Compound ID |
CP0651052
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| Compound Name |
4-methyl-2-(pyridin-2-yl)-6-((2,3,4-trifluorophenoxy)methyl)pyrimidine
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| Structure |
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| Formula |
C17H12F3N3O
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| Molecular Weight |
331.297
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| Canonical SMILES |
Cc1cc(COc2ccc(F)c(F)c2F)nc(-c2ccccn2)n1
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| InChI |
InChI=1S/C17H12F3N3O/c1-10-8-11(23-17(22-10)13-4-2-3-7-21-13)9-24-14-6-5-12(18)15(19)16(14)20/h2-8H,9H2,1H3
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| InChIKey |
ASKMLQHBZBMWBH-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