General Information of the Compound
| Compound ID |
CP0294505
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| Compound Name |
2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
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| Structure |
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| Formula |
C17H17F3O3S
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| Molecular Weight |
358.381
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| Canonical SMILES |
CCc1ccccc1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F
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| InChI |
InChI=1S/C17H17F3O3S/c1-3-12-6-4-5-7-15(12)24(22,23)14-10-8-13(9-11-14)16(2,21)17(18,19)20/h4-11,21H,3H2,1-2H3
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| InChIKey |
BKJONPBKARADED-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