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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 431 432 433 434 435 436 437 438 439 440  Next >> [469]
Species: 4932
Condition: SPE00300348
Replicates: 2
Raw OD Value: r im 0.1134±0.0133643
Normalized OD Score: sc h 0.1708±0.0119814
Z-Score: -22.0025±0.825597
p-Value: 0
Z-Factor: 0.698737
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|F7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.10 Celcius
Date:2006-11-22 YYYY-MM-DD
Plate CH Control (+):0.040025000000000005±0.00235
Plate DMSO Control (-):0.684875±0.05113
Plate Z-Factor:0.7875
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DBLink | Rows returned: 22<< Back 1 2 3 4 Next >> 
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
SPE01503110 0

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