General Information of the Compound
| Compound ID |
CP0180621
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| Compound Name |
1,1,1-trifluoro-2-[4-(2-propan-2-ylphenyl)sulfonylphenyl]propan-2-ol
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| Structure |
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| Formula |
C18H19F3O3S
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| Molecular Weight |
372.408
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| Canonical SMILES |
CC(C)c1ccccc1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F
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| InChI |
InChI=1S/C18H19F3O3S/c1-12(2)15-6-4-5-7-16(15)25(23,24)14-10-8-13(9-11-14)17(3,22)18(19,20)21/h4-12,22H,1-3H3
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| InChIKey |
WDMJNZFTFJQXQP-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