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: |
pdr_yCG196 |
Replicates: |
2 |
Raw OD Value: r im |
0.5975±0.0346482 |
Normalized OD Score: sc h |
0.8064±0.0215772 |
Z-Score: |
-6.4710±0.672522 |
p-Value: |
0.00000000101628 |
Z-Factor: |
0.282278 |
Fitness Defect: |
20.7071 |
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 (+): | 0.09375±0.00920 | Plate DMSO Control (-): | 0.9197500000000001±0.02216 | Plate Z-Factor: | 0.8762 |
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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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