Drug Information| Drug ID: | NPD9403 |
| Drug Name: | cHPMPC |
| Molecular Formula: | C8H12N3O5P |
| Canonical SMILES: | Oc1nc(=N)ccn1C[C@@H]1COP(=O)(CO1)O |
| Standard InCHI: | InChI=1S/C8H12N3O5P/c9-7-1-2-11(8(12)10-7)3-6-4-16-17(13,14)5-15-6/h1-2,6H,3-5H2,(H,13,14)(H2,9,10,12)/t6-/m1/s1 |
| Standard InCHIKey: | YXQUGSXUDFTPLL-ZCFIWIBFSA-N |
| Max Developmental Stage: | Discontinued |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9403Similarity 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 | 0.7778 | NPC90240 |
| Intermediate Similarity | 0.7473 | NPC280946 |
| Intermediate Similarity | 0.7473 | NPC6166 |
| Intermediate Similarity | 0.7473 | NPC226769 |
| Intermediate Similarity | 0.7391 | NPC120887 |
| Intermediate Similarity | 0.7312 | NPC328779 |
| Intermediate Similarity | 0.7174 | NPC329384 |
| Intermediate Similarity | 0.7158 | NPC328914 |
| Remote Similarity | 0.6889 | NPC190334 |
| Remote Similarity | 0.6889 | NPC62927 |
| Remote Similarity | 0.6742 | NPC229249 |
| Remote Similarity | 0.6395 | NPC469972 |
| Remote Similarity | 0.6105 | NPC328806 |
| Remote Similarity | 0.596 | NPC17892 |
| Remote Similarity | 0.596 | NPC36985 |
| Remote Similarity | 0.59 | NPC283698 |
| Remote Similarity | 0.59 | NPC73765 |
| Remote Similarity | 0.5867 | NPC212436 |
| Remote Similarity | 0.5816 | NPC324390 |
| Remote Similarity | 0.5772 | NPC318142 |
| Remote Similarity | 0.5758 | NPC320249 |
| Remote Similarity | 0.5758 | NPC322594 |
| Remote Similarity | 0.5752 | NPC313813 |
| TTD | DIB008711 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 261.05 |
| ALogP | -1.3848 |
| MLogP | 1.35 |
| XLogP | -0.951 |
| HDA | 8 |
| HBD | 3 |
| Rotatable Bonds | 4 |
| TPSA | 125.25 |
| RO5 Violation | 0 |