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Compound InformationSONAR Target prediction
Name:

Novel

Unique Identifier:LAT015C08
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C11F3H10NO3
Molecular Weight:251.118 g/mol
X log p:9.181  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:COc1ccc(c(O)c1)C(=O)C=C(N)C(F)(F)F

Found: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5
Species: 4932
Condition: wt24h
Replicates: 2
Raw OD Value: r im 0.7957±0.0223446
Normalized OD Score: sc h 0.9980±0.0148488
Z-Score: 0.0267±0.893779
p-Value: 0.527536
Z-Factor: -38.3604
Fitness Defect: 0.6395
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:15|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.039375±0.00173
Plate DMSO Control (-):0.796325±0.01482
Plate Z-Factor:0.9548
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DBLink | Rows returned: 2
872094 (E)-3-amino-4,4,4-trifluoro-1-(2-hydroxy-4-methoxy-phenyl)but-2-en-1-one
2853011 3-amino-4,4,4-trifluoro-1-(2-hydroxy-4-methoxy-phenyl)but-2-en-1-one

internal high similarity DBLink | Rows returned: 1
CB 5564069 1.0000

nonactive | Cluster 15651 | Additional Members: 8 | Rows returned: 3
Prest1213 0.555555555555556
SPE01500255 0.555555555555556
LAT010C02 0.5

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