General Information of the Compound
| Compound ID |
CP0373710
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| Compound Name |
2-(4-(4-(4,5-Bis(4-methoxyphenyl)thiazol-2-ylthio)butoxy)-3-chlorophenyl)acetic Acid
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| Structure |
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| Formula |
C29H28ClNO6S2
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| Molecular Weight |
586.131
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCCCOc2ccc(OCC(O)=O)cc2Cl)sc1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C29H28ClNO6S2/c1-34-21-9-5-19(6-10-21)27-28(20-7-11-22(35-2)12-8-20)39-29(31-27)38-16-4-3-15-36-25-14-13-23(17-24(25)30)37-18-26(32)33/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,32,33)
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| InChIKey |
QPMSGYPLYWKSPZ-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