General Information of the Compound
| Compound ID |
CP0469666
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-(3-ethyl-1-pyridin-2-ylindazol-6-yl)phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21N3O2
|
||||||||||||||||||
| Molecular Weight |
371.44
|
||||||||||||||||||
| Canonical SMILES |
CCc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(CCC(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21N3O2/c1-2-20-19-12-11-18(17-9-6-16(7-10-17)8-13-23(27)28)15-21(19)26(25-20)22-5-3-4-14-24-22/h3-7,9-12,14-15H,2,8,13H2,1H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FFERBSWFSCFUMJ-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: PT04613, Free fatty acid receptor 1
Protein ID: PT04427, Free fatty acid receptor 4