Compound Information | SONAR Target prediction | Name: | Cortisone 21-acetate | Unique Identifier: | LOPAC 00764 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C23H30O6 | Molecular Weight: | 375.266 g/mol | X log p: | -0.673 (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 | Class: | Hormone | Selectivity: | Cortisol |
Species: |
4932 |
Condition: |
WHI5 |
Replicates: |
2 |
Raw OD Value: r im |
0.6294±0.0156271 |
Normalized OD Score: sc h |
0.9764±0.0253314 |
Z-Score: |
-0.6668±0.680154 |
p-Value: |
0.551798 |
Z-Factor: |
-7.40474 |
Fitness Defect: |
0.5946 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 4|D2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 0.00 Celcius | Date: | 2005-04-20 YYYY-MM-DD | Plate CH Control (+): | 0.046825±0.00096 | Plate DMSO Control (-): | 0.7020500000000001±0.15227 | Plate Z-Factor: | 0.3359 |
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4254489 |
[2-(17-hydroxy-6,10,13-trimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17 -yl)-2-oxo-ethyl] acetate |
4521157 |
[2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-4,5,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl )-2-oxo-ethyl] acetate |
5702028 |
[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phe nanthren-17-yl]-2-oxo-ethyl] acetate |
6546962 |
[2-[(8S,9R,10R,13R,14S,17S)-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 |
6603773 |
[2-[(8S,9S,10S,13R,14R,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 |
6957676 |
[2-[(8R,9S,10R,13S,14S,17S)-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 |
internal high similarity DBLink | Rows returned: 1 | |
active | Cluster 11390 | Additional Members: 8 | Rows returned: 0 | |
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