Drug Information| Drug ID: | NPD9216 |
| Drug Name: | 62Cu-PTSM |
| Molecular Formula: | C7H14N6S2 |
| Canonical SMILES: | CN=C(N/N=C/C(=N/NC(=NC)[S-])/C)[S-] |
| Standard InCHI: | InChI=1S/C7H14N6S2/c1-5(11-13-7(15)9-3)4-10-12-6(14)8-2/h4H,1-3H3,(H2,8,12,14)(H2,9,13,15)/p-2/b10-4+,11-5+ |
| Standard InCHIKey: | VEXRMMJOMMTPKJ-ZVSIBQGLSA-L |
| Max Developmental Stage: | Discontinued |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9216Similarity 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 |
|---|---|---|
| Remote Similarity | 0.5686 | NPC250284 |
| TTD | DIB005268 |
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| CAS Number |
| Molecular Weight | 244.06 |
| ALogP | 0.0462 |
| MLogP | 1.35 |
| XLogP | 1.427 |
| HDA | 6 |
| HBD | 2 |
| Rotatable Bonds | 10 |
| TPSA | 73.5 |
| RO5 Violation | 0 |