| Compound Information | SONAR Target prediction | | Name: | 3-ACETOXYPREGN-16-EN-12,20-DIONE | | Unique Identifier: | SPE00100580 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 341.252 g/mol | | X log p: | 1.777 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 60.44 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 3 | | Canonical Smiles: | CC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)C(=O)CC32)C1 | | Source: | derivative |
| Species: |
4932 |
| Condition: |
VPS35 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7118±0.0122329 |
| Normalized OD Score: sc h |
1.0037±0.00440126 |
| Z-Score: |
0.1844±0.223863 |
| p-Value: |
0.855526 |
| Z-Factor: |
-9.64028 |
| Fitness Defect: |
0.156 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|E10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 29.80 Celcius | | Date: | 2008-02-20 YYYY-MM-DD | | Plate CH Control (+): | 0.041475±0.00232 | | Plate DMSO Control (-): | 0.6861±0.01261 | | Plate Z-Factor: | 0.9460 |
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| DBLink | Rows returned: 2 | |
| 4521655 |
(17-acetyl-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl)
acetate |
| 6708548 |
[(3S,5S,10S,13S)-17-acetyl-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15-dodecahydrocyclopenta[a]phen
anthren-3-yl] acetate |
| internal high similarity DBLink | Rows returned: 2 | |
| active | Cluster 11313 | Additional Members: 1 | Rows returned: 0 | |
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