General Information of the Compound
| Compound ID |
CP0390076
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| Compound Name |
2-[[4-[2-[2-butoxy-4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl]phenyl]methyl]butanoic acid
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| Structure |
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| Formula |
C31H33NO5
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| Molecular Weight |
499.607
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| Canonical SMILES |
CCCCOc1cc(ccc1CCc1ccc(CC(CC)C(O)=O)cc1)N1C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C31H33NO5/c1-3-5-18-37-28-20-25(32-29(33)26-8-6-7-9-27(26)30(32)34)17-16-24(28)15-14-21-10-12-22(13-11-21)19-23(4-2)31(35)36/h6-13,16-17,20,23H,3-5,14-15,18-19H2,1-2H3,(H,35,36)
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| InChIKey |
LZBUJINCDZYEQT-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