| 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: |
MED2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5213±0.00912168 |
| Normalized OD Score: sc h |
0.9672±0.015998 |
| Z-Score: |
-1.4473±0.680996 |
| p-Value: |
0.193971 |
| Z-Factor: |
-6.10761 |
| Fitness Defect: |
1.64 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 10|G5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.10 Celcius | | Date: | 2008-04-29 YYYY-MM-DD | | Plate CH Control (+): | 0.04165±0.00106 | | Plate DMSO Control (-): | 0.5324249999999999±0.02087 | | Plate Z-Factor: | 0.8645 |
|  png
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 | |
|
