| Compound Information | SONAR Target prediction | | Name: | CEDRYL ACETATE | | Unique Identifier: | SPE00310015 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 237.189 g/mol | | X log p: | 0.538 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | CC1CCC2C(C)(C)C3CC12CCC3(C)OC(C)=O | | Class: | sesquiterpene | | Source: | semisynthetic |
| Species: |
4932 |
| Condition: |
MT2481-pdr1pdr3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5809±0.035921 |
| Normalized OD Score: sc h |
0.8417±0.0466805 |
| Z-Score: |
-5.0083±1.36546 |
| p-Value: |
0.0000264112 |
| Z-Factor: |
-0.269027 |
| Fitness Defect: |
10.5417 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 7|C8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.40 Celcius | | Date: | 2006-05-02 YYYY-MM-DD | | Plate CH Control (+): | 0.0377±0.00156 | | Plate DMSO Control (-): | 0.6723±0.01248 | | Plate Z-Factor: | 0.9314 |
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ps
pdf |
| 87600 |
n/a |
| 88078 |
(4-tert-butylcyclohexyl)methyl acetate |
| 88480 |
[(1R,2R)-2-tert-butylcyclohexyl] acetate |
| 88481 |
[(1R,2S)-2-tert-butylcyclohexyl] acetate |
| 88692 |
[(1R,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] acetate |
| 89315 |
(3-tert-butylcyclohexyl) acetate |
| internal high similarity DBLink | Rows returned: 6 | |
| nonactive | Cluster 4444 | Additional Members: 3 | Rows returned: 1 | |
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