General Information of the Compound
| Compound ID |
CP0506588
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]pyridin-3-yl]-2-fluoropropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22FNO3
|
||||||||||||||||||
| Molecular Weight |
379.431
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(C)c1-c1cccc(COc2ccc(CC(F)C(O)=O)cn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22FNO3/c1-15-5-3-6-16(2)22(15)19-8-4-7-18(11-19)14-28-21-10-9-17(13-25-21)12-20(24)23(26)27/h3-11,13,20H,12,14H2,1-2H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IFDASFUXVDHKSQ-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02793, Free fatty acid receptor 1
Protein ID: PT02522, Free fatty acid receptor 1