General Information of the Compound
| Compound ID |
CP0476017
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25NO3
|
||||||||||||||||||
| Molecular Weight |
387.479
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCc3n2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25NO3/c1-16-5-3-6-17(2)25(16)20-8-4-7-18(13-20)15-29-23-12-10-21-19(14-24(27)28)9-11-22(21)26-23/h3-8,10,12-13,19H,9,11,14-15H2,1-2H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JLEQEHJFOVZXHU-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