Drug Information| Drug ID: | NPD8962 |
| Drug Name: | giracodazole |
| Molecular Formula: | C6H11ClN4O |
| Canonical SMILES: | NC[C@@H]([C@H](c1c[nH]c(=N)[nH]1)O)Cl |
| Standard InCHI: | InChI=1S/C6H11ClN4O/c7-3(1-8)5(12)4-2-10-6(9)11-4/h2-3,5,12H,1,8H2,(H3,9,10,11)/t3-,5+/m0/s1 |
| Standard InCHIKey: | YILCGOCHVFQMTC-WVZVXSGGSA-N |
| Max Developmental Stage: | Discontinued |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD8962Similarity 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
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| High Similarity | 1.0 | NPC202075 |
| Remote Similarity | 0.5976 | NPC193559 |
| Remote Similarity | 0.5714 | NPC323762 |
| Remote Similarity | 0.5699 | NPC242077 |
| TTD | DIB016613 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 190.06 |
| ALogP | -1.5246 |
| MLogP | 1.46 |
| XLogP | 0.698 |
| HDA | 5 |
| HBD | 5 |
| Rotatable Bonds | 6 |
| TPSA | 94.16 |
| RO5 Violation | 0 |