| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 5V4WIX44VI |
Structure
| InChI Key | CYWFCPPBTWOZSF-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.26 |
| AlogP | 2.51 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 37.3 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 14.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 5500 | - | - | 14 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 76158 |
| ChEMBL | CHEMBL341812 |
| DrugCentral | 3293 |
| EPA CompTox | DTXSID0044107 |
| FDA SRS | 5V4WIX44VI |
| PharmGKB | PA166049187 |
| PubChem | 15250 |
| SureChEMBL | SCHEMBL24244 |
| ZINC | ZINC000000001549 |
CONTENTS