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: |
CNB1 |
Replicates: |
2 |
Raw OD Value: r im |
0.0384±0.000424264 |
Normalized OD Score: sc h |
0.0564±0.000691463 |
Z-Score: |
-35.3477±0.430916 |
p-Value: |
0 |
Z-Factor: |
0.940939 |
Fitness Defect: |
INF |
Bioactivity Statement: |
Toxic |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 10|C3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.60 Celcius | Date: | 2006-04-12 YYYY-MM-DD | Plate CH Control (+): | 0.039400000000000004±0.00176 | Plate DMSO Control (-): | 0.673475±0.01196 | Plate Z-Factor: | 0.9351 |
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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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