| 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: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7068±0.00226274 |
| Normalized OD Score: sc h |
1.0125±0.000488649 |
| Z-Score: |
0.6778±0.0163275 |
| p-Value: |
0.497946 |
| Z-Factor: |
-3.91762 |
| Fitness Defect: |
0.6973 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 7|C8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.90 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.041675000000000004±0.00061 | | Plate DMSO Control (-): | 0.68065±0.01793 | | Plate Z-Factor: | 0.9085 |
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ps
pdf |
| 161675 |
n/a |
| 162413 |
7-methyloctyl acetate |
| 166247 |
(2-butan-2-yl-1-methyl-cyclohexyl) acetate |
| 169321 |
6-methylheptyl acetate |
| 173239 |
2-octyldodecyl acetate |
| 173489 |
(1,5-dimethyl-8-bicyclo[3.2.1]octyl) acetate |
| internal high similarity DBLink | Rows returned: 6 | |
| active | Cluster 4444 | Additional Members: 3 | Rows returned: 1 | |
|
