General Information of the Compound
| Compound ID |
CP0492750
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| Compound Name |
2-(2-phenylethylsulfonyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
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| Structure |
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| Formula |
C17H13F3N2O2S2
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| Molecular Weight |
398.431
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| Canonical SMILES |
FC(F)(F)c1cc(nc(n1)S(=O)(=O)CCc1ccccc1)-c1cccs1
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| InChI |
InChI=1S/C17H13F3N2O2S2/c18-17(19,20)15-11-13(14-7-4-9-25-14)21-16(22-15)26(23,24)10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2
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| InChIKey |
CUFXDPKWUBCCPK-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