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Compound InformationSONAR Target prediction
Name:

Novel

Unique Identifier:LAT010C02
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10Cl4H7NO2
Molecular Weight:307.923 g/mol
X log p:9.897  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:3
Canonical Smiles:NC(=CC(=O)c1cc(Cl)ccc1O)C(Cl)(Cl)Cl

Found: 1 nonactive | as graph: single | with analogs
Species: 4932
Condition: wt24h
Replicates: 2
Raw OD Value: r im 0.3982±0.501268
Normalized OD Score: sc h 0.5031±0.631377
Z-Score: -25.1588±33.2911
p-Value: 0.0527864
Z-Factor: -2.92595
Fitness Defect: 2.9415
Bioactivity Statement: Outlier
Experimental Conditions
Library:LATCA
Plate Number and Position:10|C2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.0393±0.00178
Plate DMSO Control (-):0.7565500000000001±0.01360
Plate Z-Factor:0.9432
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DBLink | Rows returned: 2
872088 (E)-3-amino-4,4,4-trichloro-1-(5-chloro-2-hydroxy-phenyl)but-2-en-1-one
2852991 3-amino-4,4,4-trichloro-1-(5-chloro-2-hydroxy-phenyl)but-2-en-1-one

internal high similarity DBLink | Rows returned: 1
CB 5563864 1.0000

active | Cluster 15651 | Additional Members: 8 | Rows returned: 2
SPE01500255 0.555555555555556
LAT015B02 0.416666666666667

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