General Information of the Compound
| Compound ID |
CP0572840
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| Compound Name |
2-[4-[[3-[5-(cyclobutylmethoxy)-2-methylphenyl]phenyl]methoxy]-2-fluorophenoxy]acetic acid
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| Structure |
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| Formula |
C27H27FO5
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| Molecular Weight |
450.506
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| Canonical SMILES |
Cc1ccc(OCC2CCC2)cc1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
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| InChI |
InChI=1S/C27H27FO5/c1-18-8-9-22(31-15-19-4-2-5-19)13-24(18)21-7-3-6-20(12-21)16-32-23-10-11-26(25(28)14-23)33-17-27(29)30/h3,6-14,19H,2,4-5,15-17H2,1H3,(H,29,30)
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| InChIKey |
VEPLCSMTMSGOTK-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