General Information of the Compound
| Compound ID |
CP0345521
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| Compound Name |
2-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
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| Structure |
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| Formula |
C15H13F3O3S
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| Molecular Weight |
330.327
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| Canonical SMILES |
CC(O)(c1ccc(cc1)S(=O)(=O)c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C15H13F3O3S/c1-14(19,15(16,17)18)11-7-9-13(10-8-11)22(20,21)12-5-3-2-4-6-12/h2-10,19H,1H3
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| InChIKey |
XZLCPBLFTOQEGN-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