General Information of the Compound
| Compound ID |
CP0412247
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| Compound Name |
4-[1-(4-methoxyphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]butanoic acid
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| Structure |
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| Formula |
C20H18F3NO5S
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| Molecular Weight |
441.427
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)n1c(CCCC(O)=O)cc2cc(ccc12)C(F)(F)F
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| InChI |
InChI=1S/C20H18F3NO5S/c1-29-16-6-8-17(9-7-16)30(27,28)24-15(3-2-4-19(25)26)12-13-11-14(20(21,22)23)5-10-18(13)24/h5-12H,2-4H2,1H3,(H,25,26)
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| InChIKey |
SKLCLUUFJZJTHV-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