General Information of the Compound
| Compound ID |
CP0376856
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| Compound Name |
2-[[4-[2-[4-(1,3-dioxoisoindol-2-yl)-2-hydroxyphenyl]ethyl]phenyl]methyl]butanoic acid
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| Structure |
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| Formula |
C27H25NO5
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| Molecular Weight |
443.499
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| Canonical SMILES |
CCC(Cc1ccc(CCc2ccc(cc2O)N2C(=O)c3ccccc3C2=O)cc1)C(O)=O
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| InChI |
InChI=1S/C27H25NO5/c1-2-19(27(32)33)15-18-9-7-17(8-10-18)11-12-20-13-14-21(16-24(20)29)28-25(30)22-5-3-4-6-23(22)26(28)31/h3-10,13-14,16,19,29H,2,11-12,15H2,1H3,(H,32,33)
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| InChIKey |
ALEJRJSBSGWGCD-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