General Information of the Compound
| Compound ID |
CP0411105
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| Compound Name |
2-(4-(2-(4,5-Bis(4-methoxyphenyl)thiazol-2-ylthio)ethoxy)-3-chlorophenyl)acetic Acid
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| Structure |
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| Formula |
C27H24ClNO6S2
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| Molecular Weight |
558.077
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCOc2ccc(OCC(O)=O)cc2Cl)sc1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C27H24ClNO6S2/c1-32-19-7-3-17(4-8-19)25-26(18-5-9-20(33-2)10-6-18)37-27(29-25)36-14-13-34-23-12-11-21(15-22(23)28)35-16-24(30)31/h3-12,15H,13-14,16H2,1-2H3,(H,30,31)
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| InChIKey |
RFSGIEKVKPECRC-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