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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
314600 1-(2-chloroethyl)-3-[(1R,3R)-3-methylcyclohexyl]-1-nitroso-urea
451206 1-(2-chloroethyl)-3-(2-cyclohexylethyl)-1-nitroso-urea
3058228 1-(2-chloroethyl)-1-nitroso-3-[(1R,3S)-3-tert-butylcyclohexyl]urea
3515106 1-(2-chloroethyl)-3-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradeca
hydro-1H-cyclopenta[a]phenanthren-3-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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