General Information of the Compound
| Compound ID |
CP0868039
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| Compound Name |
4-((3-methoxyoxetan-3-yl)methoxy)-2-(pyridin-2-yl)-6-((2,3,4-trifluorophenoxy)methyl)pyrimidine
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| Structure |
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| Formula |
C21H18F3N3O4
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| Molecular Weight |
433.386
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| Canonical SMILES |
COC1(COc2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)COC1
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| InChI |
InChI=1S/C21H18F3N3O4/c1-28-21(10-29-11-21)12-31-17-8-13(26-20(27-17)15-4-2-3-7-25-15)9-30-16-6-5-14(22)18(23)19(16)24/h2-8H,9-12H2,1H3
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| InChIKey |
SOVAUXJNICRTRN-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