| 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: |
SPE00305025 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5458±0.0111016 |
| Normalized OD Score: sc h |
1.0251±0.000245925 |
| Z-Score: |
0.8327±0.0112927 |
| p-Value: |
0.40505 |
| Z-Factor: |
-5.35029 |
| Fitness Defect: |
0.9037 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SpectrumTMP | | Plate Number and Position: | 2|C5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 22.60 Celcius | | Date: | 2006-11-29 YYYY-MM-DD | | Plate CH Control (+): | 0.03955±0.00232 | | Plate DMSO Control (-): | 0.559025±0.02847 | | Plate Z-Factor: | 0.8703 |
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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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