| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | MR40VT1L8Z |
Structure
| InChI Key | HMEDEBAJARCKCT-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H11ClN6O2S2 |
| Molecular Weight | 370.85 |
| AlogP | 1.84 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 126.65 |
| Molecular species | ACID |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 23.0 |
Indications
| Mesh Heading | Maximum Phase | Reference |
|---|---|---|
| Heart Failure | Phase 4 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 27589-33-9 |
| ChEBI | 31248 |
| ChEMBL | CHEMBL1097235 |
| DrugBank | DB08961 |
| DrugCentral | 278 |
| EPA CompTox | DTXSID7046910 |
| FDA SRS | MR40VT1L8Z |
| Human Metabolome Database | HMDB0041831 |
| PubChem | 2273 |
| SureChEMBL | SCHEMBL48976 |
| ZINC | ZINC000005843546 |
CONTENTS