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: |
CLN2 |
Replicates: |
2 |
Raw OD Value: r im |
0.7540±0.0019799 |
Normalized OD Score: sc h |
0.0684±0.00216975 |
Z-Score: |
-41.7747±2.21889 |
p-Value: |
0 |
Z-Factor: |
0.397399 |
Fitness Defect: |
INF |
Bioactivity Statement: |
Toxic |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 24|A3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2010-08-10 YYYY-MM-DD | Plate CH Control (+): | 0.08475±0.01398 | Plate DMSO Control (-): | 0.8672500000000001±0.04249 | Plate Z-Factor: | 0.7650 |
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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 | |
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