Drug Information| Drug ID: | NPD9559 |
| Drug Name: | Ropidoxuridine |
| Molecular Formula: | C9H11IN2O4 |
| Canonical SMILES: | OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)cnc1=O |
| Standard InCHI: | "InChI=1S/C9H11IN2O4/c10-5-2-11-9(15)12(3-5)8-1-6(14)7(4-13)16-8/h2-3,6-8,13-14H,1,4H2/t6-,7+,8+/m0/s1" |
| Standard InCHIKey: | XIJXHOVKJAXCGJ-XLPZGREQSA-N |
| Max Developmental Stage: | Phase 2 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD9559Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| Remote Similarity | 0.6538 | NPC478862 |
| Remote Similarity | 0.537 | NPC106780 |
| Remote Similarity | 0.537 | NPC604455 |
| Remote Similarity | 0.537 | NPC611237 |
| Remote Similarity | 0.5179 | NPC71339 |
| Remote Similarity | 0.5091 | NPC538001 |
| Remote Similarity | 0.5091 | NPC604300 |