General Information of the Compound
| Compound ID |
CP0266173
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| Compound Name |
2-[4-[[3-(4-chlorophenyl)-2-methylphenyl]-(4,4,4-trifluorobutyl)sulfamoyl]-2,3-dimethylphenoxy]propanoic acid
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| Structure |
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| Formula |
C28H29ClF3NO5S
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| Molecular Weight |
584.056
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| Canonical SMILES |
CC(Oc1ccc(c(C)c1C)S(=O)(=O)N(CCCC(F)(F)F)c1cccc(c1C)-c1ccc(Cl)cc1)C(O)=O
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| InChI |
InChI=1S/C28H29ClF3NO5S/c1-17-18(2)26(14-13-25(17)38-20(4)27(34)35)39(36,37)33(16-6-15-28(30,31)32)24-8-5-7-23(19(24)3)21-9-11-22(29)12-10-21/h5,7-14,20H,6,15-16H2,1-4H3,(H,34,35)
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| InChIKey |
LKVUTGRIULEFGJ-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