| 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: |
CHS3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6082±0.00770746 |
| Normalized OD Score: sc h |
0.9400±0.00882365 |
| Z-Score: |
-2.7857±0.475337 |
| p-Value: |
0.00804928 |
| Z-Factor: |
-0.611562 |
| Fitness Defect: |
4.8222 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 7|F8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.30 Celcius | | Date: | 2008-06-20 YYYY-MM-DD | | Plate CH Control (+): | 0.03985±0.00054 | | Plate DMSO Control (-): | 0.6382±0.01566 | | Plate Z-Factor: | 0.9165 |
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ps
pdf |
| 3001 |
[2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-
ethyl] acetate |
| 4042 |
(17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)
acetate |
| 5952 |
[2-[(8S,9S,10R,13R,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]p
henanthren-17-yl]-2-oxo-ethyl] acetate |
| 6279 |
[(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cycl
openta[a]phenanthren-17-yl] acetate |
| 9325 |
[(9S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanth
ren-17-yl] acetate |
| 32789 |
[(9S,11S,14S,17R)-17-acetyl-11,13-dimethyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]p
henanthren-17-yl] acetate |
| internal high similarity DBLink | Rows returned: 2 | |
| active | Cluster 2094 | Additional Members: 20 | Rows returned: 6 | |
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