| 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: |
DBP3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7363±0.00311127 |
| Normalized OD Score: sc h |
1.0215±0.00894997 |
| Z-Score: |
1.1241±0.505929 |
| p-Value: |
0.290942 |
| Z-Factor: |
-4.28087 |
| Fitness Defect: |
1.2346 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 5|D3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.80 Celcius | | Date: | 2007-09-13 YYYY-MM-DD | | Plate CH Control (+): | 0.03995±0.00060 | | Plate DMSO Control (-): | 0.7067±0.03388 | | Plate Z-Factor: | 0.8180 |
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ps
pdf |
| 3782165 |
(10,13-dimethyl-17-pentan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-y
l) acetate |
| 3892665 |
n/a |
| 4102928 |
(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate |
| 4113055 |
(10,13-dimethyl-17-methylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl)
acetate |
| 4129886 |
[11-acetyloxy-17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1
H-cyclopenta[a]phenanthren-3-yl] acetate |
| 4197836 |
[17-(5,6-dimethylhept-3-en-2-yl)-7,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopen
ta[a]phenanthren-3-yl] acetate |
| internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
| active | Cluster 15449 | Additional Members: 9 | Rows returned: 0 | |
|
