Drug Information| Drug ID: | NPD8574 |
| Drug Name: | Imexon |
| Molecular Formula: | C4H5N3O |
| Canonical SMILES: | N=C1N=C(N2C1C2)O |
| Standard InCHI: | InChI=1S/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8) |
| Standard InCHIKey: | BIXBBIPTYBJTRY-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 2 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD8574Similarity 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 | DNCL002678 |
| DrugBank | DB05003 |
| ChEMBL | CHEMBL146428 |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 68791 |
| ChEBI | |
| CAS Number | 59643-91-3 |
| Molecular Weight | 111.04 |
| ALogP | -0.8315 |
| MLogP | 1.46 |
| XLogP | 0.111 |
| HDA | 4 |
| HBD | 2 |
| Rotatable Bonds | 1 |
| TPSA | 59.45 |
| RO5 Violation | 0 |