| Compound Information | SONAR Target prediction | | Name: | RETINYL ACETATE | | Unique Identifier: | SPE01503051 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C22H32O2 | | Molecular Weight: | 296.234 g/mol | | X log p: | 12.918 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 7 | | Canonical Smiles: | CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C | | Therapeutics: | vitamin precursor |
| Species: |
4932 |
| Condition: |
PDE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8444±0.00509117 |
| Normalized OD Score: sc h |
1.0283±0.00343787 |
| Z-Score: |
1.0182±0.0869487 |
| p-Value: |
0.309516 |
| Z-Factor: |
-5.70939 |
| Fitness Defect: |
1.1727 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 15|F9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.70 Celcius | | Date: | 2006-05-11 YYYY-MM-DD | | Plate CH Control (+): | 0.0371±0.00196 | | Plate DMSO Control (-): | 0.7910999999999999±0.11041 | | Plate Z-Factor: | 0.5179 |
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| DBLink | Rows returned: 5 | |
| 5057 |
[3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] acetate |
| 638034 |
[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] acetate |
| 5353925 |
[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] acetate |
| 5381733 |
[(2Z,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] acetate |
| 16036981 |
[(2E,4E,6E)-3,5-dimethyl-7-(2,6,6-trimethyl-1-cyclohexenyl)hepta-2,4,6-trienyl] acetate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 820 | Additional Members: 15 | Rows returned: 3 | |
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