| 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 |
| Species: |
4932 |
| Condition: |
BY4741-3rd |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8800±0.0286378 |
| Normalized OD Score: sc h |
0.8585±0.0283216 |
| Z-Score: |
-5.6633±0.84501 |
| p-Value: |
0.000000203562 |
| Z-Factor: |
-0.167889 |
| Fitness Defect: |
15.4073 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 13|C4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.095±0.00000 | | Plate DMSO Control (-): | 0.9275±0.03391 | | Plate Z-Factor: | 0.8659 |
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| 208788 |
1-(2-chloroethyl)-3-(4-ethylcyclohexyl)-1-nitroso-urea |
| 261233 |
1-(2-chloroethyl)-1-nitroso-3-(1,7,7-trimethylnorbornan-2-yl)urea |
| 262108 |
1-(2-chloroethyl)-3-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,
6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-nitroso-urea |
| 262479 |
1-(2-chloroethyl)-3-(1-methylcyclohexyl)-1-nitroso-urea |
| 285728 |
1-(2-chloroethyl)-3-[4-[[4-[(2-chloroethyl-nitroso-carbamoyl)amino]cyclohexyl]methyl]cyclohexyl]-1-nitro
so-urea |
| 311786 |
1-(2-chloroethyl)-3-heptan-2-yl-1-nitroso-urea |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 2382 | Additional Members: 3 | Rows returned: 1 | |
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