| Compound Information | SONAR Target prediction | | Name: | AMINOBENZTROPINE | | Unique Identifier: | SPE02300334 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 296.238 g/mol | | X log p: | 18.29 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 12.47 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1N | | Source: | synthetic | | Reference: | J Biol Chem 258: 13575 (1983) | | Therapeutics: | muscarinic agonist |
| Species: |
4932 |
| Condition: |
QCR8 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7020±0.0129401 |
| Normalized OD Score: sc h |
1.0157±0.0101473 |
| Z-Score: |
0.6465±0.418612 |
| p-Value: |
0.535942 |
| Z-Factor: |
-10.1721 |
| Fitness Defect: |
0.6237 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 10|F10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.80 Celcius | | Date: | 2008-04-25 YYYY-MM-DD | | Plate CH Control (+): | 0.040150000000000005±0.00120 | | Plate DMSO Control (-): | 0.6531±0.02947 | | Plate Z-Factor: | 0.8321 |
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| DBLink | Rows returned: 2 | |
| 2143 |
2-[(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)oxy-phenyl-methyl]aniline |
| 6603695 |
2-[(S)-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]oxy-phenyl-methyl]aniline |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 2609 | Additional Members: 7 | Rows returned: 2 | |
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