| FADB-China ID | P2163 |
| Molecular Name | (2s,5r,6r)-6-{[(6r)-6-(Glycylamino)-7-Oxido-7-Oxoheptanoyl]Amino}-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate |
| Basis for prediction |
Benzyl penicillin |
| Similarity (based on Tanimoto coefficient and ECFP6 fingerprint) | 0.4824 |
| Similarity (based on Tanimoto coefficient and Daylight fingerprint) | 0.9030 |
| Similarity (based on MCS) | 0.5294 |
| 2D Structure |  |
| SMILES | CC1(C)SC2C(NC(=O)CCCCC(NC(=O)C[NH3+])C(=O)[O-])C(=O)N2C1C(=O)[O-] |
| CFM-ID 3.0 (Copy SMILES to the website's input box) | URL Link |
| Update Date | Jul 30, 2019 14:16 |