General Information of the Compound
| Compound ID |
CP0411709
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| Compound Name |
2-[6-[2-(3-tert-butylphenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
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| Structure |
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| Formula |
C22H26O5
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| Molecular Weight |
370.445
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| Canonical SMILES |
CC(C)(C)c1cccc(OCCOc2ccc3C(CC(O)=O)COc3c2)c1
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| InChI |
InChI=1S/C22H26O5/c1-22(2,3)16-5-4-6-17(12-16)25-9-10-26-18-7-8-19-15(11-21(23)24)14-27-20(19)13-18/h4-8,12-13,15H,9-11,14H2,1-3H3,(H,23,24)
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| InChIKey |
DPLUHNJIYWLIIS-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: PT02793, Free fatty acid receptor 1
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma