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Compound InformationSONAR Target prediction
Name:

N4-(1,1,3,3-tetramethylbutyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole
-4-carboxamide

Unique Identifier:RF 00040
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19H24N2O2Cl2
Molecular Weight:359.121 g/mol
X log p:7.455  (online calculus)
Lipinksi Failures1
TPSA38.66
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:6
Canonical Smiles:Cc1onc(c1C(=O)NC(C)(C)CC(C)(C)C)c1c(Cl)cccc1Cl

Found: 3 active | as graph: single | with analogs 2 3 Next >> 
Species: 4932
Condition: pdryCG196
Replicates: 2
Raw OD Value: r im 0.6360±0.0169706
Normalized OD Score: sc h 0.6239±0.00418432
Z-Score: -14.6987±2.26234
p-Value: 1.66835e-39
Z-Factor: 0.674061
Fitness Defect: 89.289
Bioactivity Statement: Active
Experimental Conditions
Library:Bioactive
Plate Number and Position:6|D3
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09125±0.00485
Plate DMSO Control (-):0.9195±0.03378
Plate Z-Factor:0.8796
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DBLink | Rows returned: 82 Next >> 
718143 3-(2,6-dichlorophenyl)-5-methyl-N-[(2S)-pentan-2-yl]oxazole-4-carboxamide
718146 3-(2,6-dichlorophenyl)-5-methyl-N-[(2R)-pentan-2-yl]oxazole-4-carboxamide
788820 3-(2-chlorophenyl)-5-methyl-N-[(2R)-pentan-2-yl]oxazole-4-carboxamide
788821 3-(2-chlorophenyl)-5-methyl-N-[(2S)-pentan-2-yl]oxazole-4-carboxamide
2726032 3-(2,6-dichlorophenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)oxazole-4-carboxamide
2886297 3-(2,6-dichlorophenyl)-5-methyl-N-pentan-2-yl-oxazole-4-carboxamide

internal high similarity DBLink | Rows returned: 232 3 4 Next >> 
CD 06873 0.9006
CD 06802 0.9023
DSHS 00241 0.9050
DSHS 00843 0.9050
CD 05280 0.9146
SPB 00072 0.9152

active | Cluster 8647 | Additional Members: 126 | Rows returned: 3
CD 05753 0.477611940298508
SPE01500238 0.457142857142857
SPB 00192 0.18

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