General Information of the Compound
| Compound ID |
CP0376355
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| Compound Name |
methyl 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy]acetate
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| Structure |
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| Formula |
C23H28O7
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| Molecular Weight |
416.47
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| Canonical SMILES |
CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(=O)OC)cc1)C(C)=O
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| InChI |
InChI=1S/C23H28O7/c1-4-6-20-21(12-11-19(16(2)24)23(20)26)29-14-5-13-28-17-7-9-18(10-8-17)30-15-22(25)27-3/h7-12,26H,4-6,13-15H2,1-3H3
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| InChIKey |
UGGTYLUSSQGJEN-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