| FADB-China ID | P1888 |
| Molecular Name | Sodium;2-[[4-[4-[(E)-2-[4-[[4-[bis(carboxylatomethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]-(carboxylatomethyl)amino]acetate |
| Basis for prediction |
Fluorescent Brightener 85 |
| Similarity (based on Tanimoto coefficient and ECFP6 fingerprint) | 0.6194 |
| Similarity (based on Tanimoto coefficient and Daylight fingerprint) | 0.8675 |
| Similarity (based on MCS) | 0.7342 |
| 2D Structure |  |
| SMILES | O=C([O-])CN(CC(=O)[O-])c1nc(Nc2ccc(S(=O)(=O)[O-])cc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccc(S(=O)(=O)[O-])cc5)nc(N(CC(=O)[O-])CC(=O)[O-])n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[Na+] |
| CFM-ID 3.0 (Copy SMILES to the website's input box) | URL Link |
| Update Date | Jul 30, 2019 14:16 |