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: |
SAP30 |
Replicates: |
2 |
Raw OD Value: r im |
0.8138±0.00940452 |
Normalized OD Score: sc h |
0.9992±0.00366476 |
Z-Score: |
-0.0616±0.311701 |
p-Value: |
0.82588 |
Z-Factor: |
-11.6623 |
Fitness Defect: |
0.1913 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 16|B11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.20 Celcius | Date: | 2005-11-18 YYYY-MM-DD | Plate CH Control (+): | 0.039±0.00152 | Plate DMSO Control (-): | 0.78965±0.01486 | Plate Z-Factor: | 0.9342 |
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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 | |
nonactive | Cluster 3209 | Additional Members: 11 | Rows returned: 4 | |
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