General Information of the Compound
| Compound ID |
CP0570261
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| Compound Name |
2-[4-[[3-(6-ethoxynaphthalen-2-yl)phenyl]methoxy]-2-fluorophenoxy]acetic acid
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| Structure |
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| Formula |
C27H23FO5
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| Molecular Weight |
446.474
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| Canonical SMILES |
CCOc1ccc2cc(ccc2c1)-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
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| InChI |
InChI=1S/C27H23FO5/c1-2-31-23-9-8-21-13-20(6-7-22(21)14-23)19-5-3-4-18(12-19)16-32-24-10-11-26(25(28)15-24)33-17-27(29)30/h3-15H,2,16-17H2,1H3,(H,29,30)
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| InChIKey |
SYIQWKCVIUYYRH-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: PT00909, Peroxisome proliferator-activated receptor delta