General Information of the Compound
| Compound ID |
CP0412239
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| Compound Name |
4-[5-chloro-1-(3-methoxyphenyl)sulfonylindol-2-yl]butanoic acid
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| Structure |
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| Formula |
C19H18ClNO5S
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| Molecular Weight |
407.875
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| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)n1c(CCCC(O)=O)cc2cc(Cl)ccc12
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| InChI |
InChI=1S/C19H18ClNO5S/c1-26-16-5-3-6-17(12-16)27(24,25)21-15(4-2-7-19(22)23)11-13-10-14(20)8-9-18(13)21/h3,5-6,8-12H,2,4,7H2,1H3,(H,22,23)
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| InChIKey |
GDPIDLOAVHVSMK-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
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma