| Compound Information | SONAR Target prediction |
| Name: | OBLIQUIN |
| Unique Identifier: | SPE00100540 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 232.147 g/mol |
| X log p: | 9.126 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 44.76 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 1 |
| Canonical Smiles: | CC(=C)C1COc2cc3OC(=O)C=Cc3cc2O1 |
| Class: | coumarin |
| Source: | sneezewood or umtati, Ptaeroxylon Obliquum |
| Reference: | J Chem Soc 1966: 114 |
| Found: 146 active | as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [146] |
| Species: | 4932 |
| Condition: | APC9 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6095±0.0115966 |
| Normalized OD Score: sc h | 0.8633±0.0183391 |
| Z-Score: | -7.4219±0.884388 |
| p-Value: | 0.00000000000535756 |
| Z-Factor: | -4.26641 |
| Fitness Defect: | 25.9525 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 2 |
| 5018929 |
| 6708593 |
| internal high similarity DBLink | Rows returned: 1 |
| SPE00100543 | 0.9672 |
| nonactive | Cluster 302 | Additional Members: 10 | Rows returned: 7 | << Back 1 2 |
| LAT011B08 | 0 |
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