| Compound Information | SONAR Target prediction |
| Name: | BRUCINE |
| Unique Identifier: | SPE01500822 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 371.281 g/mol |
| X log p: | 6.049 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 51.24 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 6 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | COc1cc2N3C4C5C(CC3=O)OCC=C3CN6CCC4(C6CC53)c2cc1OC |
| Class: | alkaloid |
| Source: | Strychnos nux-vomica |
| Reference: | Progress in Organic Chemistry 1: 1 (1952) |
| Therapeutics: | central stimulant |
| Found: 205 nonactive as graph: single | with analogs | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | HOG1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6950±0.0537401 |
| Normalized OD Score: sc h | 0.9909±0.0039428 |
| Z-Score: | -0.2430±0.0667494 |
| p-Value: | 0.808246 |
| Z-Factor: | -5.23332 |
| Fitness Defect: | 0.2129 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 17 | 1 2 3 Next >> |
| 9649 |
| 111096 |
| 111097 |
| 220520 |
| 296902 |
| 442021 |
| internal high similarity DBLink | Rows returned: 1 |
| SPE01500651 | 0.9012 |
| active | Cluster 3109 | Additional Members: 4 | Rows returned: 0 |
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