General Information of the Compound
| Compound ID |
CP0556189
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| Compound Name |
1,1,1-trifluoro-N-[3-(2-methoxyphenyl)pyridin-4-yl]methanesulfonamide
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| Structure |
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| Formula |
C13H11F3N2O3S
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| Molecular Weight |
332.303
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| Canonical SMILES |
COc1ccccc1-c1cnccc1NS(=O)(=O)C(F)(F)F
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| InChI |
InChI=1S/C13H11F3N2O3S/c1-21-12-5-3-2-4-9(12)10-8-17-7-6-11(10)18-22(19,20)13(14,15)16/h2-8H,1H3,(H,17,18)
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| InChIKey |
GNKNIWWSXMYIAK-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