General Information of the Compound
| Compound ID |
CP0350974
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| Compound Name |
1,1,1-trifluoro-2-[4-[2-(2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]propan-2-ol
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| Structure |
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| Formula |
C18H19F3O4S
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| Molecular Weight |
388.407
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| Canonical SMILES |
CC(C)(O)c1ccccc1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F
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| InChI |
InChI=1S/C18H19F3O4S/c1-16(2,22)14-6-4-5-7-15(14)26(24,25)13-10-8-12(9-11-13)17(3,23)18(19,20)21/h4-11,22-23H,1-3H3
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| InChIKey |
COPVLLMAPYJNNI-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