General Information of the Compound
| Compound ID |
CP0273341
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| Compound Name |
2-(4-(3-(2,3-dimethylphenoxy)propoxy)benzyl)hexanoic acid
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| Structure |
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| Formula |
C24H32O4
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| Molecular Weight |
384.516
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| Canonical SMILES |
CCCCC(Cc1ccc(OCCCOc2cccc(C)c2C)cc1)C(O)=O
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| InChI |
InChI=1S/C24H32O4/c1-4-5-9-21(24(25)26)17-20-11-13-22(14-12-20)27-15-7-16-28-23-10-6-8-18(2)19(23)3/h6,8,10-14,21H,4-5,7,9,15-17H2,1-3H3,(H,25,26)
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| InChIKey |
LRVSQBHZOPHQKT-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: PT00915, Peroxisome proliferator-activated receptor gamma