| FADB-China ID | P1853 |
| Molecular Name | Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, ethanedioate, ethanedioate (2:2:1) |
| Basis for prediction |
Malachite green |
| Similarity (based on Tanimoto coefficient and ECFP6 fingerprint) | 0.5734 |
| Similarity (based on Tanimoto coefficient and Daylight fingerprint) | 0.9735 |
| Similarity (based on MCS) | 0.3623 |
| 2D Structure |  |
| SMILES | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1.CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1.O=C(O)C(=O)O.O=C([O-])C(=O)O.O=C([O-])C(=O)O |
| CFM-ID 3.0 (Copy SMILES to the website's input box) | URL Link |
| Update Date | Jul 30, 2019 14:16 |