| Compound Information | SONAR Target prediction | | Name: | ETHAVERINE HYDROCHLORIDE | | Unique Identifier: | SPE01501000 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 401.714 g/mol | | X log p: | 15.917 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 49.28 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 10 | | Canonical Smiles: | Cl.CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC | | Source: | synthetic | | Therapeutics: | antispasmodic |
| Species: |
4932 |
| Condition: |
BRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6835±0.0321734 |
| Normalized OD Score: sc h |
0.9722±0.0392696 |
| Z-Score: |
-1.1204±1.58032 |
| p-Value: |
0.511448 |
| Z-Factor: |
-5.19213 |
| Fitness Defect: |
0.6705 |
| Bioactivity Statement: |
Outlier |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 18|G3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.80 Celcius | | Date: | 2006-03-16 YYYY-MM-DD | | Plate CH Control (+): | 0.038825±0.00129 | | Plate DMSO Control (-): | 0.69065±0.00978 | | Plate Z-Factor: | 0.9619 |
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ps
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| DBLink | Rows returned: 2 | |
| 3280 |
1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline |
| 5702159 |
1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline hydrochloride |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 1145 | Additional Members: 7 | Rows returned: 1 | |
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