Drug Information| Drug ID: | NPD477 |
| Drug Name: | "desoxypeganine, HF Arzneimittelforschung" |
| Molecular Formula: | C11H12N2 |
| Canonical SMILES: | C1CC2=Nc3c(CN2C1)cccc3 |
| Standard InCHI: | "InChI=1S/C11H12N2/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10/h1-2,4-5H,3,6-8H2" |
| Standard InCHIKey: | WUFQLZTXIWKION-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 1 |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD477Similarity 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 |
|---|---|---|
| High Similarity | 1.0 | NPC164802 |
| High Similarity | 1.0 | NPC603745 |
| High Similarity | 0.8571 | NPC533948 |
| High Similarity | 0.8571 | NPC608082 |
| Remote Similarity | 0.58 | NPC328683 |
| Remote Similarity | 0.58 | NPC283130 |
| Remote Similarity | 0.58 | NPC574620 |
| Remote Similarity | 0.58 | NPC603038 |
| Remote Similarity | 0.58 | NPC606391 |
| Remote Similarity | 0.5294 | NPC226662 |
| Remote Similarity | 0.5294 | NPC598346 |
| Remote Similarity | 0.5179 | NPC6374 |
| Remote Similarity | 0.5179 | NPC568921 |
| Remote Similarity | 0.5094 | NPC513204 |