| Compound Information | SONAR Target prediction |
| Name: | BISSALICYL FUMARATE |
| Unique Identifier: | SPE01505324 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C18H12O8 |
| Molecular Weight: | 344.188 g/mol |
| X log p: | (online calculus) |
| Lipinksi Failures | |
| TPSA | |
| Hydrogen Bond Donor Count: | |
| Hydrogen Bond Acceptors Count: | |
| Rotatable Bond Count: | |
| Canonical Smiles: | OC(=O)c1ccccc1OC(=O)C=CC(=O)Oc1ccccc1C(O)=O |
| Source: | synthetic |
| Reference: | J Biol Chem 255:2816 (1980) |
| Therapeutics: | crosslinking agent (hemoglobin) |
| Found: 104 nonactive as graph: single | with analogs | [1] << Back 51 52 53 54 55 56 57 58 59 60 Next >> [104] |
| Species: | 4932 |
| Condition: | QCR8 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6766±0.0106066 |
| Normalized OD Score: sc h | 0.9972±0.0192461 |
| Z-Score: | -0.1172±0.796369 |
| p-Value: | 0.575982 |
| Z-Factor: | -48.4809 |
| Fitness Defect: | 0.5517 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 0 |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 4626 | Additional Members: 9 | Rows returned: 1 |
| SPE01505336 | 0.418604651162791 |
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