General Information of the Compound
| Compound ID |
CP0509102
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| Compound Name |
4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]sulfamoyl]benzoic acid
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| Structure |
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| Formula |
C24H19ClF6N2O4S
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| Molecular Weight |
580.934
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| Canonical SMILES |
CC(C)(c1ccc(CN(c2ncc(cc2Cl)C(F)(F)F)S(=O)(=O)c2ccc(cc2)C(O)=O)cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H19ClF6N2O4S/c1-22(2,24(29,30)31)16-7-3-14(4-8-16)13-33(20-19(25)11-17(12-32-20)23(26,27)28)38(36,37)18-9-5-15(6-10-18)21(34)35/h3-12H,13H2,1-2H3,(H,34,35)
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| InChIKey |
GVGWRROBXZESQK-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