General Information of the Compound
| Compound ID |
CP0206812
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| Compound Name |
2-[4-[butyl-[3-(4-chlorophenyl)-2-methylphenyl]sulfamoyl]-2,3-dimethylphenoxy]hexanoic acid
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| Structure |
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| Formula |
C31H38ClNO5S
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| Molecular Weight |
572.167
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| Canonical SMILES |
CCCCC(Oc1ccc(c(C)c1C)S(=O)(=O)N(CCCC)c1cccc(c1C)-c1ccc(Cl)cc1)C(O)=O
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| InChI |
InChI=1S/C31H38ClNO5S/c1-6-8-13-29(31(34)35)38-28-18-19-30(22(4)21(28)3)39(36,37)33(20-9-7-2)27-12-10-11-26(23(27)5)24-14-16-25(32)17-15-24/h10-12,14-19,29H,6-9,13,20H2,1-5H3,(H,34,35)
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| InChIKey |
GLHMAPVHIXHAJJ-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