General Information of the Compound
| Compound ID |
CP0262779
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| Compound Name |
3-(4-(N-(3-chloro-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropanamido)phenyl)-N-methylsulfamoyl)phenyl)propanoic acid
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| Structure |
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| Formula |
C20H20ClF3N2O6S
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| Molecular Weight |
508.902
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| Canonical SMILES |
CN(c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccc(CCC(O)=O)cc1
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| InChI |
InChI=1S/C20H20ClF3N2O6S/c1-19(30,20(22,23)24)18(29)25-16-9-6-13(11-15(16)21)26(2)33(31,32)14-7-3-12(4-8-14)5-10-17(27)28/h3-4,6-9,11,30H,5,10H2,1-2H3,(H,25,29)(H,27,28)
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| InChIKey |
JOGPAHVMRGIBSE-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