General Information of the Compound
| Compound ID |
CP0411103
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| Compound Name |
2-[4-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-2-methylphenoxy]acetic acid
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| Structure |
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| Formula |
C27H25NO5S2
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| Molecular Weight |
507.633
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C27H25NO5S2/c1-17-14-18(4-13-23(17)33-15-24(29)30)16-34-27-28-25(19-5-9-21(31-2)10-6-19)26(35-27)20-7-11-22(32-3)12-8-20/h4-14H,15-16H2,1-3H3,(H,29,30)
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| InChIKey |
OQTSHZLNLKMCQW-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