General Information of the Compound
| Compound ID |
CP0206836
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| Compound Name |
2-[4-[butyl-[3-(3-chlorophenyl)-2-methylphenyl]sulfamoyl]-2,3-dimethylphenoxy]propanoic acid
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| Structure |
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| Formula |
C28H32ClNO5S
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| Molecular Weight |
530.086
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| Canonical SMILES |
CCCCN(c1cccc(c1C)-c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
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| InChI |
InChI=1S/C28H32ClNO5S/c1-6-7-16-30(25-13-9-12-24(20(25)4)22-10-8-11-23(29)17-22)36(33,34)27-15-14-26(18(2)19(27)3)35-21(5)28(31)32/h8-15,17,21H,6-7,16H2,1-5H3,(H,31,32)
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| InChIKey |
BDJSGWHOSXSQIT-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