General Information of the Compound
| Compound ID |
CP0457743
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| Compound Name |
2-[6-[3-(3-tert-butylphenoxy)propoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
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| Structure |
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| Formula |
C23H28O5
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| Molecular Weight |
384.472
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| Canonical SMILES |
CC(C)(C)c1cccc(OCCCOc2ccc3C(CC(O)=O)COc3c2)c1
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| InChI |
InChI=1S/C23H28O5/c1-23(2,3)17-6-4-7-18(13-17)26-10-5-11-27-19-8-9-20-16(12-22(24)25)15-28-21(20)14-19/h4,6-9,13-14,16H,5,10-12,15H2,1-3H3,(H,24,25)
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| InChIKey |
NXDWZEXODJBHGM-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