General Information of the Compound
| Compound ID |
CP0447390
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| Compound Name |
4-[1-[4-(trifluoromethoxy)phenyl]sulfonyl-5-(trifluoromethyl)indol-2-yl]butanoic acid
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| Structure |
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| Formula |
C20H15F6NO5S
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| Molecular Weight |
495.397
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| Canonical SMILES |
OC(=O)CCCc1cc2cc(ccc2n1S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H15F6NO5S/c21-19(22,23)13-4-9-17-12(10-13)11-14(2-1-3-18(28)29)27(17)33(30,31)16-7-5-15(6-8-16)32-20(24,25)26/h4-11H,1-3H2,(H,28,29)
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| InChIKey |
GTCGOWXPZOMCOM-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