General Information of the Compound
| Compound ID |
CP0402047
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| Compound Name |
2-(4-(4-(4,5-Bis(4-methoxyphenyl)thiazol-2-ylthio)butoxy)-2-methylphenoxy)acetic Acid
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| Structure |
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| Formula |
C30H31NO6S2
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| Molecular Weight |
565.713
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCCCOc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C30H31NO6S2/c1-20-18-25(14-15-26(20)37-19-27(32)33)36-16-4-5-17-38-30-31-28(21-6-10-23(34-2)11-7-21)29(39-30)22-8-12-24(35-3)13-9-22/h6-15,18H,4-5,16-17,19H2,1-3H3,(H,32,33)
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| InChIKey |
LAFZAKOTAAWTHM-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