General Information of the Compound
| Compound ID |
CP0296471
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| Compound Name |
2-[4-[butyl-[3-(4-chlorophenyl)-2-methylphenyl]sulfamoyl]-2,3-dimethoxyphenoxy]propanoic acid
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| Structure |
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| Formula |
C28H32ClNO7S
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| Molecular Weight |
562.084
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| Canonical SMILES |
CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(OC)c1OC
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| InChI |
InChI=1S/C28H32ClNO7S/c1-6-7-17-30(23-10-8-9-22(18(23)2)20-11-13-21(29)14-12-20)38(33,34)25-16-15-24(37-19(3)28(31)32)26(35-4)27(25)36-5/h8-16,19H,6-7,17H2,1-5H3,(H,31,32)
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| InChIKey |
WCHKYRIIOLHJDP-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