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Compound InformationSONAR 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 Failures0
TPSA49.74
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 451 452 453 454 455 456 457 458 459 460  Next >> [469]
Species: 4932
Condition: MCK1
Replicates: 2
Raw OD Value: r im 0.5339±0.000636396
Normalized OD Score: sc h 0.8903±0.00406248
Z-Score: -4.6614±0.192457
p-Value: 0.0000038188
Z-Factor: 0.217625
Fitness Defect: 12.4756
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2007-11-13 YYYY-MM-DD
Plate CH Control (+):0.039325±0.00059
Plate DMSO Control (-):0.591125±0.01412
Plate Z-Factor:0.9201
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DBLink | Rows returned: 221 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

nonactive | Cluster 2382 | Additional Members: 3 | Rows returned: 2
SPE01503110 0
LOPAC 00744 0

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