| Compound Information | SONAR Target prediction | | Name: | Betahistine mesylate | | Unique Identifier: | Prest838 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C10H20N2O6S2 | | Molecular Weight: | 308.249 g/mol | | X log p: | 7.99 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 12.36 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 3 | | Canonical Smiles: | CNCCc1ccccn1.CS(O)(=O)=O.CS(O)(=O)=O |
| Species: |
9606 |
| Condition: |
TMPPre001 |
| Replicates: |
2 |
| Raw OD Value: r im |
2142.0000±0 |
| Normalized OD Score: sc h |
1.0319±0 |
| Z-Score: |
0.7202±0 |
| p-Value: |
0.471396 |
| Z-Factor: |
-4.81688 |
| Fitness Defect: |
0.7521 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 7|G4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 24.10 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 951.5±923.27222 | | Plate DMSO Control (-): | 2006±543.99595 | | Plate Z-Factor: | -4.4324 |
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ps
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| DBLink | Rows returned: 2 | |
| 198334 |
methanesulfonic acid; N-methyl-2-pyridin-2-yl-ethanamine |
| 6420033 |
methanesulfonic acid; N-methyl-2-pyridin-2-yl-ethanamine |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 7739 | Additional Members: 8 | Rows returned: 0 | |
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