General Information of the Compound
| Compound ID |
CP0411698
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| Compound Name |
2-[6-[3-(4-phenylphenoxy)propoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
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| Structure |
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| Formula |
C25H24O5
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| Molecular Weight |
404.462
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| Canonical SMILES |
OC(=O)CC1COc2cc(OCCCOc3ccc(cc3)-c3ccccc3)ccc12
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| InChI |
InChI=1S/C25H24O5/c26-25(27)15-20-17-30-24-16-22(11-12-23(20)24)29-14-4-13-28-21-9-7-19(8-10-21)18-5-2-1-3-6-18/h1-3,5-12,16,20H,4,13-15,17H2,(H,26,27)
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| InChIKey |
AQCAZJIZBLVBHO-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