| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 85Q03215IW |
Structure
| InChI Key | OPAKEJZFFCECPN-XQRVVYSFSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H12F6N6O |
| Molecular Weight | 442.32 |
| AlogP | 3.99 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 84.73 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 31.0 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1392136-43-4 |
| ChEMBL | CHEMBL3545187 |
| DrugBank | DB12207 |
| FDA SRS | 85Q03215IW |
| PubChem | 71492799 |
| SureChEMBL | SCHEMBL14678337 |
| ZINC | ZINC000205957597 |
CONTENTS