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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 61 62 63 64 65 66
Species: 4932
Condition: YPI1
Replicates: 2
Raw OD Value: r im 0.9825±0.026163
Normalized OD Score: sc h 0.9802±0.00368672
Z-Score: 0.1237±0.216826
p-Value: 0.879068
Z-Factor: -2.05646
Fitness Defect: 0.1289
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 (+):0.10300000000000001±0.00601
Plate DMSO Control (-):0.98925±0.01334
Plate Z-Factor:0.9384
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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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