General Information of the Compound
| Compound ID |
CP0568253
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| Compound Name |
ethyl 2-methyl-2-[3-[(Z)-pentadec-8-enyl]phenoxy]propanoate
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| Structure |
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| Formula |
C27H44O3
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| Molecular Weight |
416.646
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| Canonical SMILES |
CCCCCC\C=C/CCCCCCCc1cccc(OC(C)(C)C(=O)OCC)c1
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| InChI |
InChI=1S/C27H44O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-22-25(23-24)30-27(3,4)26(28)29-6-2/h11-12,19,21-23H,5-10,13-18,20H2,1-4H3/b12-11-
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| InChIKey |
AHZAMYALIFSBPS-QXMHVHEDSA-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