Drug Information| Drug ID: | NPD9183 |
| Drug Name: | |
| Molecular Formula: | C7H10FN3O2 |
| Canonical SMILES: | NC(C(=O)O)(CF)Cc1cnc[nH]1 |
| Standard InCHI: | "InChI=1S/C7H10FN3O2/c8-3-7(9,6(12)13)1-5-2-10-4-11-5/h2,4H,1,3,9H2,(H,10,11)(H,12,13)" |
| Standard InCHIKey: | AJFGLTPLWPTALJ-UHFFFAOYSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9183Similarity 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 | 0.619 | NPC94930 |
| Remote Similarity | 0.5952 | NPC15698 |
| Remote Similarity | 0.5952 | NPC237812 |
| Remote Similarity | 0.5952 | NPC18223 |
| Remote Similarity | 0.5476 | NPC235501 |
| Remote Similarity | 0.525 | NPC15566 |
| Remote Similarity | 0.5227 | NPC174020 |