General Information of the Compound
| Compound ID |
CP0566188
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| Compound Name |
4-[benzyl-[3-methyl-5-(trifluoromethyl)pyridin-2-yl]sulfamoyl]benzoic acid
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| Structure |
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| Formula |
C21H17F3N2O4S
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| Molecular Weight |
450.438
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| Canonical SMILES |
Cc1cc(cnc1N(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(O)=O)C(F)(F)F
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| InChI |
InChI=1S/C21H17F3N2O4S/c1-14-11-17(21(22,23)24)12-25-19(14)26(13-15-5-3-2-4-6-15)31(29,30)18-9-7-16(8-10-18)20(27)28/h2-12H,13H2,1H3,(H,27,28)
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| InChIKey |
QSHZUPQNJLCBOA-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