| Status: | Approved (2000) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | S61K3P7B2V |
Structure
| InChI Key | SSOLNOMRVKKSON-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H16ClN5 |
| Molecular Weight | 253.74 |
| AlogP | 2.21 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 83.79 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 8455 |
| ChEMBL | CHEMBL1377 |
| DrugBank | DB01131 |
| DrugCentral | 2282 |
| EPA CompTox | DTXSID3022794 |
| FDA SRS | S61K3P7B2V |
| Human Metabolome Database | HMDB15263 |
| Guide to Pharmacology | 9676 |
| KEGG | C07631 |
| PDB | XEW |
| PharmGKB | PA451124 |
| PubChem | 6178111 |
| SureChEMBL | SCHEMBL45726 |
| ZINC | ZINC000095452610 |
CONTENTS