General Information of the Compound
| Compound ID |
CP0431220
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| Compound Name |
3-[4-[2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C25H21NO4
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| Molecular Weight |
399.446
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| Canonical SMILES |
OC(=O)CCc1ccc(CCc2ccc(cc2)N2C(=O)c3ccccc3C2=O)cc1
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| InChI |
InChI=1S/C25H21NO4/c27-23(28)16-13-18-8-5-17(6-9-18)7-10-19-11-14-20(15-12-19)26-24(29)21-3-1-2-4-22(21)25(26)30/h1-6,8-9,11-12,14-15H,7,10,13,16H2,(H,27,28)
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| InChIKey |
FDSRUPLKDQKAAX-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