| Compound Information | SONAR Target prediction | | Name: | CHAULMOOGRIC ACID, ETHYL ESTER | | Unique Identifier: | SPE00310017 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 272.213 g/mol | | X log p: | 4.413 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 15 | | Canonical Smiles: | CCOC(=O)CCCCCCCCCCCCC1CCC=C1 | | Source: | semisynthetic | | Therapeutics: | antilepretic |
| Species: |
4932 |
| Condition: |
TOP1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.0382±0.000141421 |
| Normalized OD Score: sc h |
0.1189±0.00211979 |
| Z-Score: |
-7.6669±0.498448 |
| p-Value: |
0.000000000000129787 |
| Z-Factor: |
0.800282 |
| Fitness Defect: |
29.6729 |
| Bioactivity Statement: |
Toxic |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 10|C3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.40 Celcius | | Date: | 2006-04-25 YYYY-MM-DD | | Plate CH Control (+): | 0.0403±0.00440 | | Plate DMSO Control (-): | 0.33094999999999997±0.01868 | | Plate Z-Factor: | 0.8206 |
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ps
pdf |
| 556575 |
ethyl 2,3,3a,4,7,7a-hexahydro-1H-indene-2-carboxylate |
| 4176524 |
ethyl 13-(1-cyclopentenyl)tridecanoate |
| 5176736 |
ethyl octadec-6-enoate |
| 5352859 |
propan-2-yl (E)-hexadec-9-enoate |
| 5356108 |
propan-2-yl (E)-octadec-9-enoate |
| 5363269 |
ethyl (E)-octadec-9-enoate |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 3231 | Additional Members: 3 | Rows returned: 1 | |
|
