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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: 167 nonactive | as graph: single | with analogs [1] << Back 151 152 153 154 155 156 157 158 159 160  Next >> [167]
Species: 4932
Condition: SLT2
Replicates: 2
Raw OD Value: r im 0.7710±0.000989949
Normalized OD Score: sc h 0.9405±0.00049048
Z-Score: -0.4350±0.0234357
p-Value: 0.66364
Z-Factor: -2.28911
Fitness Defect: 0.41
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2006-03-21 YYYY-MM-DD
Plate CH Control (+):0.038724999999999996±0.00109
Plate DMSO Control (-):0.7585500000000001±0.00852
Plate Z-Factor:0.9597
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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

active | Cluster 2382 | Additional Members: 3 | Rows returned: 1
SPE01503110 0

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