General Information of the Compound
| Compound ID |
CP0375301
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| Compound Name |
2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyrimidine
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| Structure |
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| Formula |
C12H9F3N2O2S
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| Molecular Weight |
302.277
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| Canonical SMILES |
CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3
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| InChIKey |
HZSJKGMPEXGXBV-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06266, Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial