| 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: |
ATP4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6516±0.0156978 |
| Normalized OD Score: sc h |
1.0081±0.00163246 |
| Z-Score: |
0.2999±0.0770268 |
| p-Value: |
0.764612 |
| Z-Factor: |
-9.42659 |
| Fitness Defect: |
0.2684 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 14|F6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.80 Celcius | | Date: | 2008-03-06 YYYY-MM-DD | | Plate CH Control (+): | 0.040075±0.00079 | | Plate DMSO Control (-): | 0.625±0.01450 | | Plate Z-Factor: | 0.9246 |
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| 6552133 |
[(3R,8S,9R,10S,13S,14S,17R)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro
-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 6560413 |
[(3S,8R,9S,10S,13S,14R,17R)-17-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,1
4,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 6566118 |
[(3R,7R,8S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-7,10,13-trimethyl-2,3,4,7,8,9,1
1,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 6567542 |
[(3S,8R,9S,10S,13S,14R,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 |
| 6572267 |
[(3S,8R,9S,10S,13S,14R,17S)-17-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclo
penta[a]phenanthren-3-yl] acetate |
| 6572818 |
[(3S,6aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14a-octamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,
14b-tetradecahydropicen-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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