General Information of the Compound
| Compound ID |
CP0390053
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| Compound Name |
2-(4-((4,5-Bis(4-methoxyphenyl)oxazol-2-yl)methylthio)-2-methylphenoxy)acetic Acid
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| Structure |
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| Formula |
C27H25NO6S
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| Molecular Weight |
491.565
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(CSc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C27H25NO6S/c1-17-14-22(12-13-23(17)33-15-25(29)30)35-16-24-28-26(18-4-8-20(31-2)9-5-18)27(34-24)19-6-10-21(32-3)11-7-19/h4-14H,15-16H2,1-3H3,(H,29,30)
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| InChIKey |
QKZMYSSJOLTSHS-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