| Compound Information | SONAR Target prediction | | Name: | YS-035 hydrochloride | | Unique Identifier: | LOPAC 00162 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C21ClH30NO4 | | Molecular Weight: | 365.682 g/mol | | X log p: | 14.329 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 40.16 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 10 | | Canonical Smiles: | Cl.COc1ccc(CCN(C)CCc2ccc(OC)c(OC)c2)cc1OC | | Class: | Ca2+ Channel | | Action: | Blocker | | Selectivity: | L-type |
| Species: |
4932 |
| Condition: |
HOC1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6054±0.00113137 |
| Normalized OD Score: sc h |
0.9830±0.0194585 |
| Z-Score: |
-0.8233±0.966998 |
| p-Value: |
0.510438 |
| Z-Factor: |
-5.80821 |
| Fitness Defect: |
0.6725 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 16|B11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.70 Celcius | | Date: | 2005-11-24 YYYY-MM-DD | | Plate CH Control (+): | 0.039175±0.00107 | | Plate DMSO Control (-): | 0.6031249999999999±0.01622 | | Plate Z-Factor: | 0.9062 |
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| 5714 |
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-ethanamine |
| 5715 |
bis[2-(3,4-dimethoxyphenyl)ethyl]-methyl-azanium |
| 29748 |
bis[2-(3,4-dimethoxyphenyl)ethyl]azanium chloride |
| 29749 |
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine |
| 56017 |
bis[2-(3,4-dimethoxyphenyl)ethyl]-methyl-azanium chloride |
| 215355 |
2-(3,4-dimethoxyphenyl)-N-phenethyl-ethanamine hydrochloride |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 3209 | Additional Members: 11 | Rows returned: 0 | |
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