| Compound Information | SONAR Target prediction |
| Name: | Daunorubicin hydrochloride |
| Unique Identifier: | Prest791 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C27ClH30NO10 |
| Molecular Weight: | 534.75 g/mol |
| X log p: | 3.323 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 78.9 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 11 |
| Rotatable Bond Count: | 4 |
| Canonical Smiles: | Cl.COc1cccc2c(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3c(=O)c12) C(C)=O |
| Found: 3 active as graph: single | with analogs | 1 2 3 Next >> |
| Species: | 9606 |
| Condition: | TMPPre001 |
| Replicates: | 2 |
| Raw OD Value: r im | 1622.0000±0 |
| Normalized OD Score: sc h | 0.8146±0 |
| Z-Score: | -4.1796±0 |
| p-Value: | 0.0000292 |
| Z-Factor: | -9.49457 |
| Fitness Defect: | 10.4413 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 1 |
| 313 | hydrogen chloride |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 5481 | Additional Members: 8 | Rows returned: 5 |
| LOPAC 00975 | 0.36734693877551 |
| SPE01500223 | 0.172043010752688 |
| SPE01505483 | 0 |
| SPE01505708 | 0 |
| Prest188 | 0 |
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