General Information of the Compound
| Compound ID |
CP0577388
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| Compound Name |
2-[4-[[3-(1,3-benzoxazol-6-yl)phenyl]methoxy]-2-fluorophenoxy]acetic acid
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| Structure |
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| Formula |
C22H16FNO5
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| Molecular Weight |
393.37
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| Canonical SMILES |
OC(=O)COc1ccc(OCc2cccc(c2)-c2ccc3ncoc3c2)cc1F
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| InChI |
InChI=1S/C22H16FNO5/c23-18-10-17(5-7-20(18)28-12-22(25)26)27-11-14-2-1-3-15(8-14)16-4-6-19-21(9-16)29-13-24-19/h1-10,13H,11-12H2,(H,25,26)
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| InChIKey |
IOPLKIJUQZDDKU-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