General Information of the Compound
| Compound ID |
CP0142780
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| Compound Name |
2-[4-[butyl-[5-(4-chlorophenyl)-2,4-difluorophenyl]sulfamoyl]-2,3-dimethylphenoxy]propanoic acid
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| Structure |
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| Formula |
C27H28ClF2NO5S
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| Molecular Weight |
552.039
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| Canonical SMILES |
CCCCN(c1cc(c(F)cc1F)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
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| InChI |
InChI=1S/C27H28ClF2NO5S/c1-5-6-13-31(24-14-21(22(29)15-23(24)30)19-7-9-20(28)10-8-19)37(34,35)26-12-11-25(16(2)17(26)3)36-18(4)27(32)33/h7-12,14-15,18H,5-6,13H2,1-4H3,(H,32,33)
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| InChIKey |
QUESCGZAIZNLDN-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