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Compound InformationSONAR Target prediction
Name:

N-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}oxy)dodecan
amide

Unique Identifier:CD 05753
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H30N2O4Cl2
Molecular Weight:439.163 g/mol
X log p:7.257  (online calculus)
Lipinksi Failures2
TPSA64.96
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:15
Canonical Smiles:CCCCCCCCCCCC(=O)NOC(=O)c1c(C)onc1c1c(Cl)cccc1Cl

Found: 13 active | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.1075±0.00777817
Normalized OD Score: sc h 0.1170±0.00936406
Z-Score: -7.7650±1.69559
p-Value: 0.000000000025842
Z-Factor: 0.923639
Fitness Defect: 24.379
Bioactivity Statement: Toxic
Experimental Conditions
Library:Bioactive
Plate Number and Position:2|H7
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.0945±0.00962
Plate DMSO Control (-):0.98475±0.01294
Plate Z-Factor:0.9129
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DBLink | Rows returned: 1
2804393 (dodecanoylamino) 3-(2,6-dichlorophenyl)-5-methyl-oxazole-4-carboxylate

internal high similarity DBLink | Rows returned: 3
CD 05331 0.9011
CD 06849 0.9072
CD 05847 0.9396

active | Cluster 8647 | Additional Members: 126 | Rows returned: 3
SPE01500238 0.457142857142857
RF 00040 0.30188679245283
SPB 00192 0.18

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