| 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: |
SWC5 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6731±0.014425 |
| Normalized OD Score: sc h |
0.9981±0.0195356 |
| Z-Score: |
-0.1251±0.90309 |
| p-Value: |
0.526338 |
| Z-Factor: |
-34.9107 |
| Fitness Defect: |
0.6418 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 10|G5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.70 Celcius | | Date: | 2008-06-19 YYYY-MM-DD | | Plate CH Control (+): | 0.0404±0.00217 | | Plate DMSO Control (-): | 0.6591±0.01121 | | Plate Z-Factor: | 0.9410 |
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ps
pdf |
| 6448 |
(1,7,7-trimethylnorbornan-2-yl) acetate |
| 6482 |
n/a |
| 6631 |
2-(4-methylcyclohexyl)propan-2-yl acetate |
| 7635 |
2-ethylhexyl acetate |
| 8159 |
heptyl acetate |
| 8164 |
octyl acetate |
| internal high similarity DBLink | Rows returned: 6 | |
| active | Cluster 4444 | Additional Members: 3 | Rows returned: 1 | |
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