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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 Next >> 
Species: 4932
Condition: pdr22h
Replicates: 2
Raw OD Value: r im 0.6888±0.0140714
Normalized OD Score: sc h 1.0245±0.00983851
Z-Score: 1.0407±0.413942
p-Value: 0.318432
Z-Factor: -2.42935
Fitness Defect: 1.1443
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:15|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.00 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.041675000000000004±0.00220
Plate DMSO Control (-):0.6626000000000001±0.01352
Plate Z-Factor:0.9278
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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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