| Compound Information | SONAR Target prediction | | Name: | Trifluperidol hydrochloride | | Unique Identifier: | LOPAC 00317 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C22ClF4H24NO2 | | Molecular Weight: | 421.687 g/mol | | X log p: | 16.535 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 20.31 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 7 | | Canonical Smiles: | Cl.OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(c1)C(F)(F)F | | Class: | Dopamine | | Action: | Antagonist | | Selectivity: | D1/D2 |
| Species: |
4932 |
| Condition: |
SMI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4462±0.0654074 |
| Normalized OD Score: sc h |
0.6662±0.0602777 |
| Z-Score: |
-9.0796±0.924222 |
| p-Value: |
1.78756e-17 |
| Z-Factor: |
0.133997 |
| Fitness Defect: |
38.5631 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 16|E4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.10 Celcius | | Date: | 2005-11-15 YYYY-MM-DD | | Plate CH Control (+): | 0.0398±0.00081 | | Plate DMSO Control (-): | 0.66595±0.02265 | | Plate Z-Factor: | 0.9005 |
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ps
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| DBLink | Rows returned: 2 | |
| 5567 |
1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidyl]butan-1-one |
| 16361 |
1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydropyridin-1-yl]butan-1-one
chloride |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 16161 | Additional Members: 10 | Rows returned: 4 | |
|
