Drug ID: | NPD9343 |
Drug Name: | |
Molecular Formula: | C8H10ClN3O |
Canonical SMILES: | NCCNC(=O)c1ccc(cn1)Cl |
Standard InCHI: | InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13) |
Standard InCHIKey: | JZXRLKWWVNUZRB-UHFFFAOYSA-N |
Max Developmental Stage: | Clinical (unspecified phase) |
Max Developmental Stage Source: | TTD |
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