General Information of the Compound
| Compound ID |
CP0874253
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| Compound Name |
4-methyl-6-((2-(methylsulfonyl)phenoxy)methyl)-2-(pyridin-2-yl)pyrimidine
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| Structure |
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| Formula |
C18H17N3O3S
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| Molecular Weight |
355.419
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| Canonical SMILES |
Cc1cc(COc2ccccc2S(C)(=O)=O)nc(-c2ccccn2)n1
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| InChI |
InChI=1S/C18H17N3O3S/c1-13-11-14(21-18(20-13)15-7-5-6-10-19-15)12-24-16-8-3-4-9-17(16)25(2,22)23/h3-11H,12H2,1-2H3
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| InChIKey |
FMPSQFXEQUKLFU-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