Compound Information | SONAR Target prediction | Name: | CHOLESTERYL ACETATE | Unique Identifier: | SPE00307031 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 380.309 g/mol | X log p: | 3.511 (online calculus) | Lipinksi Failures | 0 | TPSA | 26.3 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 2 | Rotatable Bond Count: | 7 | Canonical Smiles: | CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O | Class: | sterol | Source: | animal tissue; derivative |
Species: |
4932 |
Condition: |
SWR1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6530±0.00671751 |
Normalized OD Score: sc h |
0.9884±0.00492252 |
Z-Score: |
-0.4804±0.202746 |
p-Value: |
0.634466 |
Z-Factor: |
-12.3718 |
Fitness Defect: |
0.455 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 14|F6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.10 Celcius | Date: | 2008-01-31 YYYY-MM-DD | Plate CH Control (+): | 0.040675±0.00052 | Plate DMSO Control (-): | 0.621775±0.01673 | Plate Z-Factor: | 0.9215 |
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632812 |
[17-(5-hydroxy-5-methyl-hexan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopen ta[a]phenanthren-3-yl] acetate |
633274 |
[17-(5,6-dimethylhept-5-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[ a]phenanthren-3-yl] acetate |
633359 |
[4,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]ph enanthren-3-yl] acetate |
634244 |
[10,13-dimethyl-17-[1-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-d odecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
634645 |
[6-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17- yl)-2-methyl-heptyl] acetate |
2723897 |
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-d odecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
active | Cluster 15449 | Additional Members: 9 | Rows returned: 0 | |
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