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Compound InformationSONAR Target prediction
Name:

isopropyl N-(3,5-dichlorophenyl)carbamate

Unique Identifier:SPB 07912
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10H11NO2Cl2
Molecular Weight:237.018 g/mol
X log p:7.707  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:CC(C)OC(=O)Nc1cc(Cl)cc(Cl)c1

Found: 6 active | as graph: single | with analogs << Back 1 2 3 4 5 6
Species: 4932
Condition: pdryCG200
Replicates: 2
Raw OD Value: r im 0.2590±0.0579828
Normalized OD Score: sc h 0.2776±0.025927
Z-Score: -32.8045±2.05787
p-Value: 0
Z-Factor: 0.823643
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:Bioactive
Plate Number and Position:9|H5
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.092±0.01100
Plate DMSO Control (-):1.00725±0.01687
Plate Z-Factor:0.8847
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DBLink | Rows returned: 2
2747130 propan-2-yl N-(3,5-dichlorophenyl)carbamate
4935479 tert-butyl N-(3,5-dichlorophenyl)carbamate

internal high similarity DBLink | Rows returned: 3
SPB 07911 0.9180
SPE00330051 0.9655
SEW 04919 0.9828

nonactive | Cluster 17219 | Additional Members: 19 | Rows returned: 0

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