| Compound Information | SONAR Target prediction | | Name: | Benztropine mesylate | | Unique Identifier: | LOPAC 00174 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C22H29NO4S | | Molecular Weight: | 374.306 g/mol | | X log p: | 20.956 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 12.47 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1.CS(O)(=O)=O | | Class: | Cholinergic | | Action: | Antagonist | | Selectivity: | Muscarinic |
| Species: |
4932 |
| Condition: |
NUM1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7418±0.0111016 |
| Normalized OD Score: sc h |
0.9975±0.00409481 |
| Z-Score: |
-0.1440±0.236567 |
| p-Value: |
0.868508 |
| Z-Factor: |
-126.253 |
| Fitness Defect: |
0.141 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 3|D5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.90 Celcius | | Date: | 2005-11-30 YYYY-MM-DD | | Plate CH Control (+): | 0.038349999999999995±0.00048 | | Plate DMSO Control (-): | 0.733425±0.01259 | | Plate Z-Factor: | 0.9423 |
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| 5771553 |
(1S,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane; methanesulfonic acid |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 2609 | Additional Members: 7 | Rows returned: 2 | |
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