Drug Information| Drug ID: | NPD183 |
| Drug Name: | Stepronin |
| Molecular Formula: | C10H11NO4S2 |
| Canonical SMILES: | OC(=O)CN=C(C(SC(=O)c1cccs1)C)O |
| Standard InCHI: | InChI=1S/C10H11NO4S2/c1-6(9(14)11-5-8(12)13)17-10(15)7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13) |
| Standard InCHIKey: | JNYSEDHQJCOWQU-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; DrugBank |
Structural Similarity Between NPASS Natural Products and NPD183Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient 
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
| TTD | DIB010013 |
| DrugBank | DB01423 |
| ChEMBL | CHEMBL2107531 |
| IUPHAR/BPS | |
| PharmaGKB | PA164748630 |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | 135129 |
| CAS Number | 72324-18-6 |
| Molecular Weight | 273.01 |
| ALogP | 0.4287 |
| MLogP | 1.79 |
| XLogP | 0.791 |
| HDA | 5 |
| HBD | 2 |
| Rotatable Bonds | 9 |
| TPSA | 140.5 |
| RO5 Violation | 0 |