| Compound Information | SONAR Target prediction | | Name: | Methiothepin mesylate | | Unique Identifier: | LOPAC 00521 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C21H28N2O3S3 | | Molecular Weight: | 424.434 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.CS(O)(=O)=O | | Class: | Serotonin | | Action: | Antagonist | | Selectivity: | 5-HT1E, 5-HT1F, 5-HT6 |
| Species: |
4932 |
| Condition: |
MRC1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4426±0.490379 |
| Normalized OD Score: sc h |
0.5315±0.587808 |
| Z-Score: |
-32.1917±39.7016 |
| p-Value: |
0.000019075 |
| Z-Factor: |
-2.86015 |
| Fitness Defect: |
10.8671 |
| Bioactivity Statement: |
Outlier |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 11|A5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.60 Celcius | | Date: | 2005-12-06 YYYY-MM-DD | | Plate CH Control (+): | 0.18389999999999998±0.19700 | | Plate DMSO Control (-): | 0.807075±0.01215 | | Plate Z-Factor: | 0.9413 |
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| DBLink | Rows returned: 3 | |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 5447 | Additional Members: 4 | Rows returned: 2 | |
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