General Information of the Compound
| Compound ID |
CP0400309
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| Compound Name |
4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoic acid
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| Structure |
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| Formula |
C21H12ClF7N2O4S
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| Molecular Weight |
556.843
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1ncc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C21H12ClF7N2O4S/c22-16-8-13(20(24,25)26)9-30-18(16)31(10-11-1-6-17(23)15(7-11)21(27,28)29)36(34,35)14-4-2-12(3-5-14)19(32)33/h1-9H,10H2,(H,32,33)
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| InChIKey |
WJZTXQAKUXWZIU-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