| FADB-China ID | P1854 |
| Molecular Name | Methanaminium, N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, acetate |
| Basis for prediction |
Malachite green |
| Similarity (based on Tanimoto coefficient and ECFP6 fingerprint) | 0.7676 |
| Similarity (based on Tanimoto coefficient and Daylight fingerprint) | 0.9878 |
| Similarity (based on MCS) | 0.7576 |
| 2D Structure |  |
| SMILES | CC(=O)[O-].CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 |
| CFM-ID 3.0 (Copy SMILES to the website's input box) | URL Link |
| Update Date | Jul 30, 2019 14:16 |