| 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: |
CIN2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8139±0.00749533 |
| Normalized OD Score: sc h |
0.9965±0.0145041 |
| Z-Score: |
-0.3226±1.13081 |
| p-Value: |
0.447562 |
| Z-Factor: |
-23.6768 |
| Fitness Defect: |
0.8039 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 16|B11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.00 Celcius | | Date: | 2005-12-07 YYYY-MM-DD | | Plate CH Control (+): | 0.038625±0.17328 | | Plate DMSO Control (-): | 0.810975±0.01237 | | Plate Z-Factor: | 0.9630 |
|  png
ps
pdf |
| 215356 |
2-(3,4-dimethoxyphenyl)-N-phenethyl-ethanamine |
| 3048686 |
2-(3,4-dimethoxyphenyl)-N-phenethyl-ethanamine hydrobromide |
| 6917841 |
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-ethanamine hydrochloride |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 3209 | Additional Members: 11 | Rows returned: 0 | |
|
