Compound Information | SONAR Target prediction | Name: | CORTISONE ACETATE | Unique Identifier: | SPE01500207 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 372.242 g/mol | X log p: | -0.534 (online calculus) | Lipinksi Failures | 0 | TPSA | 77.51 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 6 | Rotatable Bond Count: | 4 | Canonical Smiles: | CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC21C | Source: | semisynthetic | Therapeutics: | glucocorticoid |
Species: |
4932 |
Condition: |
BEM2 |
Replicates: |
2 |
Raw OD Value: r im |
0.4376±0.00678822 |
Normalized OD Score: sc h |
0.9855±0.00340685 |
Z-Score: |
0.0790±0.187342 |
p-Value: |
0.894938 |
Z-Factor: |
-39.0878 |
Fitness Defect: |
0.111 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 3|G6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.70 Celcius | Date: | 2008-02-05 YYYY-MM-DD | Plate CH Control (+): | 0.04085±0.00056 | Plate DMSO Control (-): | 0.46724999999999994±0.01932 | Plate Z-Factor: | 0.8841 |
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2863 |
[2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl )-2-oxo-ethyl] acetate |
5745 |
[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclop enta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
225758 |
[2-[(5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-4,5,6,7,8,9,12,14,15,16-decahydrocyc lopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
232398 |
[2-[(6S,8S,9S,10R,13S,14S,17R)-17-hydroxy-6,10,13-trimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydro cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
232428 |
[2-(17-hydroxy-2,10,13-trimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17 -yl)-2-oxo-ethyl] acetate |
355340 |
[2-[(8S,10R,13S)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phen anthren-17-yl]-2-oxo-ethyl] acetate |
internal high similarity DBLink | Rows returned: 1 | |
nonactive | Cluster 11390 | Additional Members: 8 | Rows returned: 6 | |
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