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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: KGD1
Replicates: 2
Raw OD Value: r im 0.6536±0.0143543
Normalized OD Score: sc h 0.9287±0.0120116
Z-Score: -4.1797±0.644144
p-Value: 0.0000997558
Z-Factor: -0.40094
Fitness Defect: 9.2128
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2007-09-11 YYYY-MM-DD
Plate CH Control (+):0.039825±0.00081
Plate DMSO Control (-):0.6862±0.01521
Plate Z-Factor:0.9253
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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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