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: |
YPT6 |
Replicates: |
2 |
Raw OD Value: r im |
0.2729±0.00502046 |
Normalized OD Score: sc h |
0.6347±0.0145108 |
Z-Score: |
-10.2149±0.418866 |
p-Value: |
1.72953e-23 |
Z-Factor: |
0.579367 |
Fitness Defect: |
52.4116 |
Bioactivity Statement: |
Toxic |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 13|D5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.80 Celcius | Date: | 2006-02-22 YYYY-MM-DD | Plate CH Control (+): | 0.04145±0.00103 | Plate DMSO Control (-): | 0.36355±0.01976 | Plate Z-Factor: | 0.7970 |
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314600 |
1-(2-chloroethyl)-3-[(1R,3R)-3-methylcyclohexyl]-1-nitroso-urea |
451206 |
1-(2-chloroethyl)-3-(2-cyclohexylethyl)-1-nitroso-urea |
3058228 |
1-(2-chloroethyl)-1-nitroso-3-[(1R,3S)-3-tert-butylcyclohexyl]urea |
3515106 |
1-(2-chloroethyl)-3-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradeca hydro-1H-cyclopenta[a]phenanthren-3-yl]-1-nitroso-urea |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 2382 | Additional Members: 3 | Rows returned: 1 | |
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