General Information of the Compound
| Compound ID |
CP0373961
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| Compound Name |
2-(4-((4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-5-(4-(trifluoromethoxy)phenyl)thiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
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| Structure |
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| Formula |
C28H22F3NO7S
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| Molecular Weight |
573.545
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| Canonical SMILES |
Cc1cc(OCc2nc(c(s2)-c2ccc(OC(F)(F)F)cc2)-c2ccc3OCCOc3c2)ccc1OCC(O)=O
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| InChI |
InChI=1S/C28H22F3NO7S/c1-16-12-20(7-9-21(16)38-15-25(33)34)37-14-24-32-26(18-4-8-22-23(13-18)36-11-10-35-22)27(40-24)17-2-5-19(6-3-17)39-28(29,30)31/h2-9,12-13H,10-11,14-15H2,1H3,(H,33,34)
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| InChIKey |
AAKBVWNVGBMJLG-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