General Information of the Compound
| Compound ID |
CP0851852
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| Compound Name |
rac-2-(4-{2-[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-ethoxyphenyl]ethyl}benzyl)butyric acid
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| Structure |
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| Formula |
C29H29NO5
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| Molecular Weight |
471.553
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| Canonical SMILES |
CCOc1cc(N2C(=O)c3ccccc3C2=O)ccc1CCc1ccc(CC(CC)C(=O)O)cc1
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| InChI |
InChI=1S/C29H29NO5/c1-3-21(29(33)34)17-20-11-9-19(10-12-20)13-14-22-15-16-23(18-26(22)35-4-2)30-27(31)24-7-5-6-8-25(24)28(30)32/h5-12,15-16,18,21H,3-4,13-14,17H2,1-2H3,(H,33,34)
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| InChIKey |
PMFWRAGPLVIDGB-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