General Information of the Compound
| Compound ID |
CP0291982
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| Compound Name |
2-[4-[butyl-[3-(4-chlorophenyl)-2-methylphenyl]sulfamoyl]-2,3-dimethylphenoxy]pentanoic acid
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| Structure |
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| Formula |
C30H36ClNO5S
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| Molecular Weight |
558.14
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| Canonical SMILES |
CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(CCC)C(O)=O)c(C)c1C
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| InChI |
InChI=1S/C30H36ClNO5S/c1-6-8-19-32(26-12-9-11-25(22(26)5)23-13-15-24(31)16-14-23)38(35,36)29-18-17-27(20(3)21(29)4)37-28(10-7-2)30(33)34/h9,11-18,28H,6-8,10,19H2,1-5H3,(H,33,34)
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| InChIKey |
TVYFEFQAQHPRJD-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