General Information of the Compound
| Compound ID |
CP0377004
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| Compound Name |
2-[[4-[2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl]phenyl]methyl]butanoic acid
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| Structure |
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| Formula |
C27H25NO4
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| Molecular Weight |
427.5
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| Canonical SMILES |
CCC(Cc1ccc(CCc2ccc(cc2)N2C(=O)c3ccccc3C2=O)cc1)C(O)=O
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| InChI |
InChI=1S/C27H25NO4/c1-2-21(27(31)32)17-20-11-9-18(10-12-20)7-8-19-13-15-22(16-14-19)28-25(29)23-5-3-4-6-24(23)26(28)30/h3-6,9-16,21H,2,7-8,17H2,1H3,(H,31,32)
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| InChIKey |
OBNPHXKERYVVBP-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