Compound Information | SONAR Target prediction | Name: | Isoflupredone acetate | Unique Identifier: | Prest1116 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C23FH29O6 | Molecular Weight: | 393.257 g/mol | X log p: | 4.153 (online calculus) | Lipinksi Failures | 0 | TPSA | 60.44 | 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)C=CC4(C)C3(F)C(O)CC21C |
Species: |
9606 |
Condition: |
TMPPre003 |
Replicates: |
2 |
Raw OD Value: r im |
17986.0000±0 |
Normalized OD Score: sc h |
0.9993±0 |
Z-Score: |
-0.0201±0 |
p-Value: |
0.983964 |
Z-Factor: |
-18.082 |
Fitness Defect: |
0.0162 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Prestwick | Plate Number and Position: | 1|A7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 0 nm | Robot Temperature: | 23.50 Celcius | Date: | 2006-10-10 YYYY-MM-DD | Plate CH Control (+): | 18471.5±2737.44289 | Plate DMSO Control (-): | 18271±1230.24317 | Plate Z-Factor: | -192.4333 |
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224246 |
[2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octah ydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
236702 |
[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15, 16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
247935 |
[2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16 -octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
249434 |
[1-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octah ydrocyclopenta[a]phenanthren-17-yl]-1-oxo-propan-2-yl] acetate |
443967 |
[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15, 16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
494005 |
[2-(9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanth ren-17-yl)-2-oxo-ethyl] acetate |
internal high similarity DBLink | Rows returned: 0 | |
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