General Information of the Compound
| Compound ID |
CP0871259
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| Compound Name |
4-(3,3-dimethylazetidin-1-yl)-2-(pyridin-2-yl)-6-((2,3,4-trifluorophenoxy)methyl)pyrimidine
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| Structure |
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| Formula |
C21H19F3N4O
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| Molecular Weight |
400.404
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| Canonical SMILES |
CC1(C)CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1
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| InChI |
InChI=1S/C21H19F3N4O/c1-21(2)11-28(12-21)17-9-13(26-20(27-17)15-5-3-4-8-25-15)10-29-16-7-6-14(22)18(23)19(16)24/h3-9H,10-12H2,1-2H3
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| InChIKey |
IYOMQVFVKQEUGI-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