| Compound Information | SONAR Target prediction | | Name: | DESOXYCORTICOSTERONE ACETATE | | Unique Identifier: | SPE00300029 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 340.244 g/mol | | X log p: | 1.899 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 60.44 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C | | Source: | adrenocortex | | Therapeutics: | mineralocorticoid |
| Species: |
4932 |
| Condition: |
SMI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4658±0.0293449 |
| Normalized OD Score: sc h |
0.7148±0.0283327 |
| Z-Score: |
-5.9883±0.0867349 |
| p-Value: |
0.00000000226922 |
| Z-Factor: |
0.416488 |
| Fitness Defect: |
19.9038 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 10|B5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.60 Celcius | | Date: | 2005-12-20 YYYY-MM-DD | | Plate CH Control (+): | 0.03875000000000001±0.00246 | | Plate DMSO Control (-): | 0.6314±0.01665 | | Plate Z-Factor: | 0.9302 |
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| 7087051 |
[(8S,9S,10R,13S,14R,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta
[a]phenanthren-17-yl] acetate |
| 7233155 |
[(8R,9R,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta
[a]phenanthren-17-yl] acetate |
| 7233156 |
[(8R,9R,10S,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta
[a]phenanthren-17-yl] acetate |
| 7233157 |
[(8R,9R,10S,13S,14R,17S)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta
[a]phenanthren-17-yl] acetate |
| 7233158 |
[(8R,9R,10S,13S,14R,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta
[a]phenanthren-17-yl] acetate |
| 11875275 |
[(8R,9R,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta
[a]phenanthren-17-yl] acetate |
| internal high similarity DBLink | Rows returned: 2 | |
| active | Cluster 2094 | Additional Members: 20 | Rows returned: 6 | |
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