| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | N05AE04 |
| UNII | 6UKA5VEJ6X |
| EPA CompTox | DTXSID4023753 |
| InChI Key | MVWVFYHBGMAFLY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H21ClN4OS |
| Molecular Weight | 412.95 |
| AlogP | 3.81 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 48.47 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 28.0 |
| Resources | Reference |
|---|---|
| ChEBI | 10119 |
| ChEMBL | CHEMBL708 |
| DrugBank | DB00246 |
| DrugCentral | 2865 |
| FDA SRS | 6UKA5VEJ6X |
| Human Metabolome Database | HMDB0014391 |
| Guide to Pharmacology | 59 |
| KEGG | C07568 |
| PharmGKB | PA451974 |
| PubChem | 60854 |
| SureChEMBL | SCHEMBL28028 |
| ZINC | ZINC000000538550 |