| Compound Information | SONAR Target prediction |
| Name: | METHIOTHEPIN MALEATE |
| Unique Identifier: | SPE01503637 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C24H28N2O4S2 |
| Molecular Weight: | 444.4 g/mol |
| X log p: | 15.562 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 57.08 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 2 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1.OC(=O)C=CC(O)=O |
| Therapeutics: | 5HT1&2 receptor antagonist |
| Found: 124 active | as graph: single | with analogs | [1] << Back 71 72 73 74 75 76 77 78 79 80 Next >> [124] |
| Species: | 4932 |
| Condition: | BY4741 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.5470±0.0737512 |
| Normalized OD Score: sc h | 0.6976±0.0922419 |
| Z-Score: | -12.2115±2.98139 |
| p-Value: | 2.67034e-24 |
| Z-Factor: | -0.327796 |
| Fitness Defect: | 54.2798 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 3 |
| 5358812 |
| 6445413 |
| 6510954 |
| internal high similarity DBLink | Rows returned: 0 |
| nonactive | Cluster 5447 | Additional Members: 4 | Rows returned: 3 |
| LOPAC 00294 | 0.301587301587302 |
| Prest739 | 0 |
| LOPAC 00521 | 0 |
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