| 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: |
PFK2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4766±0.0137179 |
| Normalized OD Score: sc h |
1.0047±0.00308062 |
| Z-Score: |
0.1485±0.105845 |
| p-Value: |
0.882306 |
| Z-Factor: |
-30.4777 |
| Fitness Defect: |
0.1252 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 14|F6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.20 Celcius | | Date: | 2008-05-10 YYYY-MM-DD | | Plate CH Control (+): | 0.04055±0.00056 | | Plate DMSO Control (-): | 0.47195±0.00927 | | Plate Z-Factor: | 0.9437 |
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ps
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| 274541 |
1-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-y
l)ethyl acetate |
| 279745 |
(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate |
| 280428 |
[4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]ph
enanthren-3-yl] acetate |
| 281930 |
n/a |
| 283777 |
[4,4-diethyl-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta
[a]phenanthren-3-yl] acetate |
| 313018 |
[17-(6-hydroxy-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclope
nta[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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