| Compound Information | SONAR Target prediction | | Name: | CLEMASTINE | | Unique Identifier: | SPE01500191 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 429.724 g/mol | | X log p: | 18.96 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 12.47 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 6 | | Canonical Smiles: | CN1CCCC1CCOC(C)(c1ccccc1)c1ccc(Cl)cc1.OC(=O)C=CC(O)=O | | Source: | synthetic | | Therapeutics: | antihistaminic |
| Species: |
4932 |
| Condition: |
SPE00310300 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4629±0.041295 |
| Normalized OD Score: sc h |
0.7994±0.0781991 |
| Z-Score: |
-7.8851±5.29161 |
| p-Value: |
0.0000171145 |
| Z-Factor: |
-3.27365 |
| Fitness Defect: |
10.9756 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SpectrumTMP | | Plate Number and Position: | 1|G8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.30 Celcius | | Date: | 2006-12-21 YYYY-MM-DD | | Plate CH Control (+): | 0.039575±0.00313 | | Plate DMSO Control (-): | 0.598075±0.08950 | | Plate Z-Factor: | 0.0916 |
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| DBLink | Rows returned: 3 | |
| 26986 |
but-2-enedioic acid; (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-pyrrolidine |
| 5281069 |
but-2-enedioic acid; (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-pyrrolidine |
| 6426695 |
(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-2,3,4,5-tetrahydropyrrole;
(E)-4-hydroxy-4-oxo-but-2-enoate |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 7676 | Additional Members: 4 | Rows returned: 2 | |
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