General Information of the Compound
Compound ID |
CP0476754
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Compound Name |
2-[6-[3-(2-methylphenoxy)propoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
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Structure |
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Formula |
C20H22O5
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Molecular Weight |
342.391
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Canonical SMILES |
Cc1ccccc1OCCCOc1ccc2C(CC(O)=O)COc2c1
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InChI |
InChI=1S/C20H22O5/c1-14-5-2-3-6-18(14)24-10-4-9-23-16-7-8-17-15(11-20(21)22)13-25-19(17)12-16/h2-3,5-8,12,15H,4,9-11,13H2,1H3,(H,21,22)
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InChIKey |
GSFFAQLVCXDMIY-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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