General Information of the Compound
| Compound ID |
CP0539039
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| Compound Name |
2-ethylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
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| Structure |
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| Formula |
C11H9F3N2O2S2
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| Molecular Weight |
322.333
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| Canonical SMILES |
CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1
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| InChI |
InChI=1S/C11H9F3N2O2S2/c1-2-20(17,18)10-15-7(8-4-3-5-19-8)6-9(16-10)11(12,13)14/h3-6H,2H2,1H3
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| InChIKey |
FOUVXIDXQISCLY-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