| Compound Information | SONAR Target prediction | | Name: | ERGOSTEROL ACETATE | | Unique Identifier: | SPE00200744 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 416.341 g/mol | | X log p: | 9.421 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 6 | | Canonical Smiles: | CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4C(C)(C)C(CCC4(C)C3CCC12C)OC(C)=O | | Class: | sterol | | Source: | derivative; mp 179-181 C |
| Species: |
4932 |
| Condition: |
AAT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7196±0.00643467 |
| Normalized OD Score: sc h |
1.0036±0.012533 |
| Z-Score: |
0.1833±0.661815 |
| p-Value: |
0.64538 |
| Z-Factor: |
-23.0477 |
| Fitness Defect: |
0.4379 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 12|D5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.70 Celcius | | Date: | 2008-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.04035±0.00048 | | Plate DMSO Control (-): | 0.708725±0.01147 | | Plate Z-Factor: | 0.9457 |
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| 6036492 |
[17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopen
ta[a]phenanthren-3-yl] acetate |
| 6432261 |
[(3S)-17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopen
ta[a]phenanthren-3-yl] acetate |
| 6436903 |
[(3S,9R,10R,13S,14R,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16
,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 5085 | Additional Members: 3 | Rows returned: 1 | |
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