General Information of the Compound
| Compound ID |
CP0484139
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]-2-fluorophenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H34FNO5
|
||||||||||||||||||
| Molecular Weight |
519.613
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc(CCC(O)=O)c(F)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H34FNO5/c1-21-16-27(37-15-5-14-33-13-4-8-29(33)34)17-22(2)31(21)25-7-3-6-23(18-25)20-38-26-11-9-24(28(32)19-26)10-12-30(35)36/h3,6-7,9,11,16-19H,4-5,8,10,12-15,20H2,1-2H3,(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FKCANYSFMNFPSV-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