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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 1 2 3 4 5 6 7 8 9 10  Next >> [469]
Species: 4932
Condition: BY4741
Replicates: 2
Raw OD Value: r im 0.2519±0.0281428
Normalized OD Score: sc h 0.6296±0.030874
Z-Score: -6.6696±0.834453
p-Value: 0.00000000060272
Z-Factor: 0.172347
Fitness Defect: 21.2296
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:2|A7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2008-08-15 YYYY-MM-DD
Plate CH Control (+):0.0425±0.00086
Plate DMSO Control (-):0.71835±0.01530
Plate Z-Factor:0.9384
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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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