General Information of the Compound
| Compound ID |
CP0399692
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| Compound Name |
(1'S*,5'R*)-6-[5-Heptyl-2-(oct-1-yn-1-yl)-4-oxo-cyclopent-2-enyloxy]hexanoic Acid
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| Structure |
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| Formula |
C26H42O4
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| Molecular Weight |
418.618
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| Canonical SMILES |
CCCCCCC[C@@H]1[C@H](OCCCCCC(O)=O)C(=CC1=O)C#CCCCCCC
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| InChI |
InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-22-21-24(27)23(18-14-10-8-6-4-2)26(22)30-20-16-12-15-19-25(28)29/h21,23,26H,3-12,14-16,18-20H2,1-2H3,(H,28,29)/t23-,26+/m0/s1
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| InChIKey |
MFDSWSATIADLPG-JYFHCDHNSA-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