| Molecule Category | Free-form |
| Source | Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ... |
Structure
| InChI Key | BXIQOACOSDGVBH-ONEGZZNKSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H15FO2 |
| Molecular Weight | 258.29 |
| AlogP | 3.99 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 19.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transcription factor
|
- | - | - | 3097419299.22 | - |
Homo sapiens
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL179374 |
| PubChem | 11414230 |
| SureChEMBL | SCHEMBL2131725 |
CONTENTS
