General Information of the Compound
| Compound ID |
CP0568918
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| Compound Name |
2-[4-[[3-[5-(2-cyclohexylethoxy)-2-methylphenyl]phenyl]methoxy]-2-fluorophenoxy]acetic acid
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| Structure |
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| Formula |
C30H33FO5
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| Molecular Weight |
492.587
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| Canonical SMILES |
Cc1ccc(OCCC2CCCCC2)cc1-c1cccc(COc2ccc(OCC(O)=O)c(F)c2)c1
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| InChI |
InChI=1S/C30H33FO5/c1-21-10-11-25(34-15-14-22-6-3-2-4-7-22)17-27(21)24-9-5-8-23(16-24)19-35-26-12-13-29(28(31)18-26)36-20-30(32)33/h5,8-13,16-18,22H,2-4,6-7,14-15,19-20H2,1H3,(H,32,33)
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| InChIKey |
SXZMJYRHZCINAL-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