Rhodamine B (Predicted)
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Basic Info
| FADB-China ID | P0002 |
| Molecular Name | Rhodamine B |
| Basis for prediction | Rhodamine B |
| Similarity (based on Tanimoto coefficient and ECFP6 fingerprint) | 0.9145 |
| Similarity (based on Tanimoto coefficient and Daylight fingerprint) | 1.0000 |
| Similarity (based on MCS) | 0.9429 |
| 2D Structure | |
| SMILES | CCN(CC)c1ccc2c(-c3ccccc3C(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1.Cl |
| CFM-ID 3.0 (Copy SMILES to the website's input box) | URL Link |
| Update Date | Jul 30, 2019 14:16 |
References
| Title | Data Sources |
|---|---|
| Source | T3DB |
| PubChem Link | URL Link |