| 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 |
| Found: 24 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [24] |
| Species: | 4932 |
| Condition: | BY4741 |
| Replicates: | 8 |
| Raw OD Value: r im | 0.8559±0.132816 |
| Normalized OD Score: sc h | 1.0335±0.0164082 |
| Z-Score: | 1.0536±0.412543 |
| p-Value: | 0.293342 |
| Z-Factor: | -3.03422 |
| Fitness Defect: | 1.2264 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 7 | 1 2 Next >> |
| 8584 | (1R,5R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane; methanesulfonic acid |
| 197961 | 3-benzhydryloxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane; methanesulfonic acid |
| 238053 | 3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane; methanesulfonic acid |
| 441352 | (1R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane; methanesulfonic acid |
| 3246155 | (1S,5R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane; methanesulfonic acid |
| 5351770 | 3-benzhydryloxy-8-methyl-8-azoniabicyclo[3.2.1]octane; methanesulfonate |
| internal high similarity DBLink | Rows returned: 1 |
| SPE01500142 | 0.9583 |
| nonactive | Cluster 2609 | Additional Members: 7 | Rows returned: 6 |
| Prest969 | 0.448979591836735 |
| SPE01500258 | 0.448979591836735 |
| LOPAC 00168 | 0.326923076923077 |
| SPE02300334 | 0.326923076923077 |
| LOPAC 00255 | 0.170212765957447 |
| SPE01500142 | 0 |
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