| Compound Information | SONAR Target prediction | | Name: | TRIAMCINOLONE DIACETATE | | Unique Identifier: | SPE01500588 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 447.261 g/mol | | X log p: | 3.975 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 86.74 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 8 | | Rotatable Bond Count: | 6 | | Canonical Smiles: | CC(=O)OCC(=O)C1(O)C(CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C)OC(C)=O | | Source: | semisynthetic | | Therapeutics: | antiinflammatory |
| Species: |
4932 |
| Condition: |
SPO22 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4199±0.00254558 |
| Normalized OD Score: sc h |
1.0200±0.0204554 |
| Z-Score: |
0.2474±0.254249 |
| p-Value: |
0.807672 |
| Z-Factor: |
-8.23889 |
| Fitness Defect: |
0.2136 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 16|A8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 0.00 Celcius | | Date: | 2006-05-12 YYYY-MM-DD | | Plate CH Control (+): | 0.038599999999999995±0.00052 | | Plate DMSO Control (-): | 0.3799±0.01327 | | Plate Z-Factor: | 0.8725 |
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| 6216 |
[2-[(8S,9R,10S,11S,13S,14S,16R,17S)-16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,
12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 539244 |
[2-(16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[
a]phenanthren-17-yl)-2-oxo-ethyl] acetate |
| 5702127 |
[2-[(9R,10S,11S,13S,16R,17S)-16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,1
5,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 6546954 |
[2-[(8S,9S,10S,11R,13R,14S,16S,17R)-16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,
12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 7059643 |
[2-[(8R,9R,10S,11S,13S,14S,16R,17S)-16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,
12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 7061378 |
[2-[(8R,9R,10S,11S,13S,14R,16R,17S)-16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,
12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 1865 | Additional Members: 13 | Rows returned: 3 | |
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