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Compound InformationSONAR Target prediction
Name:

N`4,3-di(2,6-dichlorophenyl)-5-methylisoxazole-4-carbohydrazide

Unique Identifier:SPB 00192
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C17H11N3O2Cl4
Molecular Weight:420.012 g/mol
X log p:15.199  (online calculus)
Lipinksi Failures1
TPSA38.66
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:5
Canonical Smiles:Cc1onc(c1C(=O)NNc1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl

Found: 66 nonactive | as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [66]
Species: 4932
Condition: MEC1
Replicates: 2
Raw OD Value: r im 0.9145±0.137886
Normalized OD Score: sc h 0.9769±0.0160807
Z-Score: 0.0825±0.632036
p-Value: 0.656032
Z-Factor: -2.56163
Fitness Defect: 0.4215
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Bioactive
Plate Number and Position:8|E8
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-05-28 YYYY-MM-DD
Plate CH Control (+):0.09675±0.00507
Plate DMSO Control (-):0.907±0.01298
Plate Z-Factor:0.9355
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DBLink | Rows returned: 1
2743078 N-,3-bis(2,6-dichlorophenyl)-5-methyl-oxazole-4-carbohydrazide

internal high similarity DBLink | Rows returned: 6
HTS 03070 0.9045
HTS 06175 0.9202
HTS 06174 0.9422
RF 00552 0.9719
RF 00562 0.9769
SPB 00272 0.9886

active | Cluster 8647 | Additional Members: 126 | Rows returned: 3
CD 05753 0.477611940298508
SPE01500238 0.457142857142857
RF 00040 0.30188679245283

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