17a-hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one (Predicted)
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Basic Info
| FADB-China ID | P2317 |
| Molecular Name | 17a-hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one |
| Basis for prediction | Methyltestosterone |
| Similarity (based on Tanimoto coefficient and ECFP6 fingerprint) | 0.6098 |
| Similarity (based on Tanimoto coefficient and Daylight fingerprint) | 0.7248 |
| Similarity (based on MCS) | 0.8800 |
| 2D Structure | |
| SMILES | C#CC1(O)CCC2C3CCC4=CC(=O)C(=CO)CC4(C)C3CCC21C |
| 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 | FRCD |
| PubChem Link | URL Link |