General Information of the Compound
| Compound ID |
CP0382779
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| Compound Name |
2-(4-((4-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-8-yl)-5-(4-(trifluoromethoxy)phenyl)thiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
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| Structure |
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| Formula |
C29H24F3NO7S
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| Molecular Weight |
587.572
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| Canonical SMILES |
Cc1cc(OCc2nc(c(s2)-c2ccc(OC(F)(F)F)cc2)-c2ccc3OCCCOc3c2)ccc1OCC(O)=O
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| InChI |
InChI=1S/C29H24F3NO7S/c1-17-13-21(8-10-22(17)39-16-26(34)35)38-15-25-33-27(19-5-9-23-24(14-19)37-12-2-11-36-23)28(41-25)18-3-6-20(7-4-18)40-29(30,31)32/h3-10,13-14H,2,11-12,15-16H2,1H3,(H,34,35)
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| InChIKey |
DUZRGWQOKNNOIN-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