General Information of the Compound
| Compound ID |
CP0469665
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-(3-phenylmethoxy-1-pyridin-2-ylindazol-6-yl)phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H23N3O3
|
||||||||||||||||||
| Molecular Weight |
449.51
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCc1ccc(cc1)-c1ccc2c(OCc3ccccc3)nn(-c3ccccn3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H23N3O3/c32-27(33)16-11-20-9-12-22(13-10-20)23-14-15-24-25(18-23)31(26-8-4-5-17-29-26)30-28(24)34-19-21-6-2-1-3-7-21/h1-10,12-15,17-18H,11,16,19H2,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DKDKSOCZJGJGDY-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