| 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] << Back 421 422 423 424 425 426 427 428 429 430 Next >> [469] |
| Species: | 4932 |
| Condition: | SPE01501139 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.0525±0.00233345 |
| Normalized OD Score: sc h | 0.0984±0.00967102 |
| Z-Score: | -12.8644±0.432789 |
| p-Value: | 1.78932e-36 |
| Z-Factor: | -0.0240236 |
| Fitness Defect: | 82.3112 |
| Bioactivity Statement: | Toxic |
| ps |
| DBLink | Rows returned: 22 | << Back 1 2 3 4 Next >> |
| 97388 | 1-(2-chloroethyl)-3-[[4-[[(2-chloroethyl-nitroso-carbamoyl)amino]methyl]cyclohexyl]methyl]-1-nitroso-ure a |
| 98195 | 1-(2-chloroethyl)-1-nitroso-3-norbornan-2-yl-urea |
| 98253 | 1-(2-chloroethyl)-3-(3-methylcyclohexyl)-1-nitroso-urea |
| 98269 | 1-(2-chloroethyl)-1-nitroso-3-(3,3,5-trimethylcyclohexyl)urea |
| 98349 | 1-(2-chloroethyl)-1-nitroso-3-(3-tert-butylcyclohexyl)urea |
| 149422 | 1-(2-chloroethyl)-3-[[4-[4-[[(2-chloroethyl-nitroso-carbamoyl)amino]methyl]cyclohexyl]cyclohexyl]methyl] -1-nitroso-urea |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 2382 | Additional Members: 3 | Rows returned: 1 |
| SPE01503110 | 0 |
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