General Information of the Compound
| Compound ID |
CP0966222
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| Compound Name |
4-((3,4-difluorophenoxy)methyl)-6-methyl-2-(pyridin-2-yl)pyrimidine
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| Structure |
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| Formula |
C17H13F2N3O
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| Molecular Weight |
313.307
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| Canonical SMILES |
Cc1cc(COc2ccc(F)c(F)c2)nc(-c2ccccn2)n1
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| InChI |
InChI=1S/C17H13F2N3O/c1-11-8-12(10-23-13-5-6-14(18)15(19)9-13)22-17(21-11)16-4-2-3-7-20-16/h2-9H,10H2,1H3
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| InChIKey |
RXRRZFMNIJVJJF-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