General Information of the Compound
| Compound ID |
CP0411104
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| Compound Name |
2-(4-((4,5-Bis(4-methoxyphenyl)thiazol-2-ylthio)methyl)-3-chlorophenyl)acetic Acid
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| Structure |
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| Formula |
C26H22ClNO5S2
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| Molecular Weight |
528.051
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCc2ccc(OCC(O)=O)cc2Cl)sc1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C26H22ClNO5S2/c1-31-19-8-3-16(4-9-19)24-25(17-5-10-20(32-2)11-6-17)35-26(28-24)34-15-18-7-12-21(13-22(18)27)33-14-23(29)30/h3-13H,14-15H2,1-2H3,(H,29,30)
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| InChIKey |
SEGVHTKMRUXMIQ-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