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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: 58 nonactive | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [58]
Species: 4932
Condition: DBF2
Replicates: 2
Raw OD Value: r im 0.5355±0.22981
Normalized OD Score: sc h 0.5864±0.247118
Z-Score: -3.0886±2.50206
p-Value: 0.0935222
Z-Factor: -0.875298
Fitness Defect: 2.3696
Bioactivity Statement: Outlier
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:2011-06-14 YYYY-MM-DD
Plate CH Control (+):0.0925±0.00301
Plate DMSO Control (-):0.91225±0.01060
Plate Z-Factor:0.9481
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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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