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Compound InformationSONAR Target prediction
Name:

Novel

Unique Identifier:LAT015B02
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10Cl3H8NO2
Molecular Weight:272.471 g/mol
X log p:11.257  (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)c1ccccc1O)C(Cl)(Cl)Cl

Found: 5 active as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: wt18h
Replicates: 2
Raw OD Value: r im 0.2075±0.0166877
Normalized OD Score: sc h 0.2390±0.0146197
Z-Score: -21.6391±4.178
p-Value: 0
Z-Factor: 0.891323
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:15|B2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.0395±0.00166
Plate DMSO Control (-):0.7961250000000001±0.01023
Plate Z-Factor:0.9609
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DBLink | Rows returned: 2
788049 (E)-3-amino-4,4,4-trichloro-1-(2-hydroxyphenyl)but-2-en-1-one
2832881 3-amino-4,4,4-trichloro-1-(2-hydroxyphenyl)but-2-en-1-one

internal high similarity DBLink | Rows returned: 0

active | Cluster 15651 | Additional Members: 8 | Rows returned: 2
SPE01500255 0.555555555555556
LAT010C02 0.5

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