General Information of the Compound
| Compound ID |
CP0142825
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| Compound Name |
2-[4-[[3-(4-chlorophenyl)-2-methylphenyl]-(cyclobutylmethyl)sulfamoyl]-2,3-dimethylphenoxy]propanoic acid
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| Structure |
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| Formula |
C29H32ClNO5S
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| Molecular Weight |
542.097
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| Canonical SMILES |
CC(Oc1ccc(c(C)c1C)S(=O)(=O)N(CC1CCC1)c1cccc(c1C)-c1ccc(Cl)cc1)C(O)=O
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| InChI |
InChI=1S/C29H32ClNO5S/c1-18-19(2)28(16-15-27(18)36-21(4)29(32)33)37(34,35)31(17-22-7-5-8-22)26-10-6-9-25(20(26)3)23-11-13-24(30)14-12-23/h6,9-16,21-22H,5,7-8,17H2,1-4H3,(H,32,33)
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| InChIKey |
UWZYWZRWDPGEKV-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