| Compound Information | SONAR Target prediction |
| Name: | DOXORUBICIN |
| Unique Identifier: | SPE01505483 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C27H29NO11 |
| Molecular Weight: | 514.289 g/mol |
| X log p: | (online calculus) |
| Lipinksi Failures | |
| TPSA | |
| Hydrogen Bond Donor Count: | |
| Hydrogen Bond Acceptors Count: | |
| Rotatable Bond Count: | |
| Canonical Smiles: | COc1cccc2c(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3c(=O)c12)C(= O)CO |
| Source: | semisynthetic |
| Therapeutics: | antineoplastic |
| Found: 10 nonactive | as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> |
| Species: | 4932 |
| Condition: | ARC18 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6311±0.0299813 |
| Normalized OD Score: sc h | 0.9017±0.053939 |
| Z-Score: | -4.4049±2.34459 |
| p-Value: | 0.00300686 |
| Z-Factor: | -1.6283 |
| Fitness Defect: | 5.8069 |
| Bioactivity Statement: | Outlier |
| ps |
| DBLink | Rows returned: 0 |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 5481 | Additional Members: 8 | Rows returned: 5 |
| LOPAC 00975 | 0.36734693877551 |
| SPE01500223 | 0.172043010752688 |
| Prest791 | 0.172043010752688 |
| SPE01505708 | 0 |
| Prest188 | 0 |
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