| Compound Information | SONAR Target prediction | | Name: | DIFLUCORTOLONE PIVALATE | | Unique Identifier: | SPE01503299 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C27F2H36O5 | | Molecular Weight: | 442.283 g/mol | | X log p: | 5.144 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 60.44 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)COC(=O)C(C)(C)C | | Therapeutics: | glucocorticoid, antiinflammatory |
| Species: |
4932 |
| Condition: |
ROT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8243±0.0000707107 |
| Normalized OD Score: sc h |
0.9969±0.0000840302 |
| Z-Score: |
-0.1453±0.00194095 |
| p-Value: |
0.8845 |
| Z-Factor: |
-9.68567 |
| Fitness Defect: |
0.1227 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 10|C4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.30 Celcius | | Date: | 2006-05-05 YYYY-MM-DD | | Plate CH Control (+): | 0.039675±0.00681 | | Plate DMSO Control (-): | 0.816425±0.02034 | | Plate Z-Factor: | 0.9094 |
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ps
pdf |
| 3057 |
[2-(6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phe
nanthren-17-yl)-2-oxo-ethyl] 2,2-dimethylpropanoate |
| 3058 |
[2-(6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phe
nanthren-17-yl)-2-oxo-ethyl] pentanoate |
| 66381 |
[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,
16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 2,2-dimethylpropanoate |
| 91670 |
[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,
16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] pentanoate |
| 133141 |
[2-[(6S,8S,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,
17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] pentanoate |
| 5702241 |
[2-[(6S,11S,16R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyc
lopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 2,2-dimethylpropanoate |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 15366 | Additional Members: 3 | Rows returned: 0 | |
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