THEOBROMINE (Predicted)
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Basic Info
| FADB-China ID | P2580 |
| Molecular Name | THEOBROMINE |
| Basis for prediction | Caffeine |
| Similarity (based on Tanimoto coefficient and ECFP6 fingerprint) | 0.6222 |
| Similarity (based on Tanimoto coefficient and Daylight fingerprint) | 0.8986 |
| Similarity (based on MCS) | 0.9286 |
| 2D Structure | |
| SMILES | Cn1cnc2c1c(=O)[nH]c(=O)n2C |
| 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 |