| 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: |
SMI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6869±0.0420729 |
| Normalized OD Score: sc h |
0.9921±0.0208864 |
| Z-Score: |
-0.1476±0.426311 |
| p-Value: |
0.765564 |
| Z-Factor: |
-20.035 |
| Fitness Defect: |
0.2671 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 16|A8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.80 Celcius | | Date: | 2005-12-20 YYYY-MM-DD | | Plate CH Control (+): | 0.039099999999999996±0.00186 | | Plate DMSO Control (-): | 0.66435±0.01255 | | Plate Z-Factor: | 0.9323 |
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| 7061379 |
[2-[(8R,9R,10S,11R,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 |
| 7061380 |
[2-[(8R,9R,10S,11R,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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