| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | C4I13768E1 |
Structure
| InChI Key | ZWASRJHIEFYJGL-BFUOFWGJSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H21F7N2O3S |
| Molecular Weight | 514.46 |
| AlogP | 4.51 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 60.85 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 34.0 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 946396-92-5 |
| ChEMBL | CHEMBL4297286 |
| DrugBank | DB12419 |
| EPA CompTox | DTXSID20241559 |
| FDA SRS | C4I13768E1 |
| PubChem | 16721125 |
| SureChEMBL | SCHEMBL3213640 |
CONTENTS