Drug ID: | NPD9368 |
Drug Name: | Caricotamide |
Molecular Formula: | C8H11N3O2 |
Canonical SMILES: | OC(=N)CN1C=CCC(=C1)C(=N)O |
Standard InCHI: | InChI=1S/C8H11N3O2/c9-7(12)5-11-3-1-2-6(4-11)8(10)13/h1,3-4H,2,5H2,(H2,9,12)(H2,10,13) |
Standard InCHIKey: | WEJRSYKFMCUCRQ-UHFFFAOYSA-N |
Max Developmental Stage: | Phase 2 |
Max Developmental Stage Source: | ChEMBL |
Similarity 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.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7