Drug Information| Drug ID: | NPD9197 |
| Drug Name: | RP-170 |
| Molecular Formula: | C7H11N3O5 |
| Canonical SMILES: | OCC(OCn1ccnc1N(=O)=O)CO |
| Standard InCHI: | InChI=1S/C7H11N3O5/c11-3-6(4-12)15-5-9-2-1-8-7(9)10(13)14/h1-2,6,11-12H,3-5H2 |
| Standard InCHIKey: | DWSFCAKOSWFTCK-UHFFFAOYSA-N |
| Max Developmental Stage: | Discontinued |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9197Similarity 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 |
|---|---|---|
| Intermediate Similarity | 0.7885 | NPC332382 |
| Remote Similarity | 0.6893 | NPC190949 |
| Remote Similarity | 0.624 | NPC327579 |
| Remote Similarity | 0.6214 | NPC237936 |
| Remote Similarity | 0.6068 | NPC273327 |
| Remote Similarity | 0.5959 | NPC207633 |
| Remote Similarity | 0.5725 | NPC262926 |
| Remote Similarity | 0.5714 | NPC326248 |
| Remote Similarity | 0.5714 | NPC327613 |
| Remote Similarity | 0.5714 | NPC187191 |
| Remote Similarity | 0.5683 | NPC61198 |
| Remote Similarity | 0.5683 | NPC320818 |
| Remote Similarity | 0.5603 | NPC30326 |
| TTD | DIB016061 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 217.07 |
| ALogP | -0.4231 |
| MLogP | 1.35 |
| XLogP | -0.925 |
| HDA | 5 |
| HBD | 2 |
| Rotatable Bonds | 9 |
| TPSA | 110.65 |
| RO5 Violation | 0 |