| Compound Information | SONAR Target prediction | | Name: | Chaulmoogric Acid, Ethyl Ester | | Unique Identifier: | LAT001B07 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C20H36O2 | | 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 |
| Species: |
4932 |
| Condition: |
pdr18h |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6808±0.0205061 |
| Normalized OD Score: sc h |
1.0955±0.0162959 |
| Z-Score: |
2.8574±0.67095 |
| p-Value: |
0.00901792 |
| Z-Factor: |
-3.86954 |
| Fitness Defect: |
4.7085 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | LATCA | | Plate Number and Position: | 1|B7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.90 Celcius | | Date: | 2007-03-08 YYYY-MM-DD | | Plate CH Control (+): | 0.040175±0.00183 | | Plate DMSO Control (-): | 0.629975±0.20881 | | Plate Z-Factor: | -0.0737 |
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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: 2 | |
|
