| 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: |
TRK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4926±0.0246073 |
| Normalized OD Score: sc h |
0.9981±0.0224951 |
| Z-Score: |
-0.0619±0.697123 |
| p-Value: |
0.62272 |
| Z-Factor: |
-58.4159 |
| Fitness Defect: |
0.4737 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 14|F6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.60 Celcius | | Date: | 2008-03-14 YYYY-MM-DD | | Plate CH Control (+): | 0.040125±0.00076 | | Plate DMSO Control (-): | 0.476975±0.00898 | | Plate Z-Factor: | 0.9384 |
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| 11786 |
[(3S,9S,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cy
clopenta[a]phenanthren-3-yl] acetate |
| 15921 |
[17-(5-ethyl-6-methyl-hept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclop
enta[a]phenanthren-3-yl] acetate |
| 99469 |
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methyl-heptan-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 |
| 102150 |
[(3S,8R,9S,10R,13S,14S,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 |
| 102203 |
[(3S,8R,9S,10R,13S,14S,17S)-3-acetyloxy-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclo
penta[a]phenanthren-17-yl] acetate |
| 102205 |
[(3S,8R,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cycl
openta[a]phenanthren-17-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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