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Compound InformationSONAR Target prediction
Name:

N-[4-(4-bromo-1-methyl-1H-pyrazol-3-yl)phenyl]-N`-phenylurea

Unique Identifier:KM 03072
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C17H15N4OBr
Molecular Weight:356.112 g/mol
X log p:21.709  (online calculus)
Lipinksi Failures1
TPSA32.67
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:5
Canonical Smiles:Cn1cc(Br)c(n1)c1ccc(NC(=O)Nc2ccccc2)cc1

Found: 6 active | as graph: single | with analogs << Back 1 2 3 4 5 6
Species: 4932
Condition: SLT2
Replicates: 2
Raw OD Value: r im 0.7300±0.0169706
Normalized OD Score: sc h 0.8347±0.0170283
Z-Score: -5.3805±1.49919
p-Value: 0.00000778766
Z-Factor: 0.367255
Fitness Defect: 11.763
Bioactivity Statement: Active
Experimental Conditions
Library:Cytotoxic
Plate Number and Position:5|C7
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.085±0.00334
Plate DMSO Control (-):0.992±0.01811
Plate Z-Factor:0.9216
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DBLink | Rows returned: 1
2819936 1-[4-(4-bromo-1-methyl-pyrazol-3-yl)phenyl]-3-phenyl-urea

internal high similarity DBLink | Rows returned: 1
KM 03069 0.9407

active | Cluster 12793 | Additional Members: 20 | Rows returned: 1
SPE00211126 0.3125

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