General Information of the Compound
| Compound ID |
CP0347479
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| Compound Name |
3-[4-[2-[6-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-(2,2,2-trifluoroethoxy)propanoic acid
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| Structure |
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| Formula |
C28H24F3NO7S
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| Molecular Weight |
575.561
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| Canonical SMILES |
OC(=O)C(Cc1ccc(OCCn2c3ccc(\C=C\c4cc(O)cc(O)c4)cc3sc2=O)cc1)OCC(F)(F)F
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| InChI |
InChI=1S/C28H24F3NO7S/c29-28(30,31)16-39-24(26(35)36)13-17-3-6-22(7-4-17)38-10-9-32-23-8-5-18(14-25(23)40-27(32)37)1-2-19-11-20(33)15-21(34)12-19/h1-8,11-12,14-15,24,33-34H,9-10,13,16H2,(H,35,36)/b2-1+
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| InChIKey |
VPBCQBFYCXEYCP-OWOJBTEDSA-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: PT00915, Peroxisome proliferator-activated receptor gamma