| Compound Information | SONAR Target prediction |
| Name: | SEMUSTINE |
| Unique Identifier: | SPE01503422 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 229.579 g/mol |
| X log p: | 0.337 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 49.74 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 6 |
| Canonical Smiles: | CC1CCC(CC1)NC(=O)N(CCCl)N=O |
| Source: | synthetic |
| Therapeutics: | antineoplastic |
| Found: 469 active | as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [469] |
| Species: | 4932 |
| Condition: | AAT2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.2501±0.0243952 |
| Normalized OD Score: sc h | 0.3442±0.0344568 |
| Z-Score: | -34.8136±1.06409 |
| p-Value: | 0 |
| Z-Factor: | 0.751295 |
| Fitness Defect: | INF |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 22 | 1 2 3 4 Next >> |
| 5198 | 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-urea |
| 64168 | 3-(1-adamantyl)-1-(2-chloroethyl)-1-nitroso-urea |
| 64290 | 3-(2-adamantyl)-1-(2-chloroethyl)-1-nitroso-urea |
| 64291 | 1-(2-chloroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)urea |
| 83809 | 1-(2-chloroethyl)-3-cyclododecyl-1-nitroso-urea |
| 96954 | 1-(2-chloroethyl)-1-nitroso-3-(4-tert-butylcyclohexyl)urea |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 2382 | Additional Members: 3 | Rows returned: 1 |
| SPE01503110 | 0 |
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