General Information of the Compound
| Compound ID |
CP0457742
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| Compound Name |
2-[6-(3-phenoxypropoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid
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| Structure |
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| Formula |
C19H20O5
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| Molecular Weight |
328.364
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| Canonical SMILES |
OC(=O)CC1COc2cc(OCCCOc3ccccc3)ccc12
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| InChI |
InChI=1S/C19H20O5/c20-19(21)11-14-13-24-18-12-16(7-8-17(14)18)23-10-4-9-22-15-5-2-1-3-6-15/h1-3,5-8,12,14H,4,9-11,13H2,(H,20,21)
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| InChIKey |
KNBLXNQBQPYGTG-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