General Information of the Compound
| Compound ID |
CP0391207
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| Compound Name |
2-(4-(3-(4,5-Bis(4-methoxyphenyl)thiazol-2-ylthio)propoxy)-2-methylphenoxy)acetic Acid
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| Structure |
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| Formula |
C29H29NO6S2
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| Molecular Weight |
551.686
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCCOc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C29H29NO6S2/c1-19-17-24(13-14-25(19)36-18-26(31)32)35-15-4-16-37-29-30-27(20-5-9-22(33-2)10-6-20)28(38-29)21-7-11-23(34-3)12-8-21/h5-14,17H,4,15-16,18H2,1-3H3,(H,31,32)
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| InChIKey |
QMWAICZHSKOZJP-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