Drug Information| Drug ID: | NPD9718 |
| Drug Name: | 3,5 Dibromotyrosine |
| Molecular Formula: | C9H9Br2NO3 |
| Canonical SMILES: | OC(=O)[C@H](Cc1cc(Br)c(c(c1)Br)O)N |
| Standard InCHI: | InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 |
| Standard InCHIKey: | COESHZUDRKCEPA-ZETCQYMHSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD9718Similarity 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
| TTD | |
| DrugBank | DB07637 |
| ChEMBL | CHEMBL1232132 |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | 28335 |
| CAS Number | 300-38-9 |
| Molecular Weight | 336.89 |
| ALogP | 0.2329 |
| MLogP | 1.79 |
| XLogP | -0.709 |
| HDA | 3 |
| HBD | 3 |
| Rotatable Bonds | 8 |
| TPSA | 83.55 |
| RO5 Violation | 0 |