General Information of the Compound
| Compound ID |
CP0551953
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| Compound Name |
ethyl 2-(3-pentadecylphenoxy)acetate
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| Structure |
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| Formula |
C25H42O3
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| Molecular Weight |
390.608
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| Canonical SMILES |
CCCCCCCCCCCCCCCc1cccc(OCC(=O)OCC)c1
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| InChI |
InChI=1S/C25H42O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-23-19-17-20-24(21-23)28-22-25(26)27-4-2/h17,19-21H,3-16,18,22H2,1-2H3
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| InChIKey |
PISZURKEVBXQNK-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