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Compound InformationSONAR Target prediction
Name:

Novel

Unique Identifier:LAT017D07
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:BrC14H11O3
Molecular Weight:296.052 g/mol
X log p:15.653  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:3
Canonical Smiles:Oc1ccc(c(O)c1)C(=O)Cc1ccc(Br)cc1

Found: 5 active as graph: single | with analogs << Back 1 2 3 4 5
Species: 4932
Condition: wt24h
Replicates: 2
Raw OD Value: r im 0.5300±0.0888833
Normalized OD Score: sc h 0.6862±0.117715
Z-Score: -13.4342±2.21074
p-Value: 8.37094e-33
Z-Factor: -0.335886
Fitness Defect: 73.8605
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:17|D7
Drug Concentration:50.00 nM
OD Absorbance:1 nm
Robot Temperature:25.10 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.04085±0.00245
Plate DMSO Control (-):0.7619499999999999±0.01479
Plate Z-Factor:0.9506
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DBLink | Rows returned: 2
689031 2-(4-bromophenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
2063466 2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 16963 | Additional Members: 14 | Rows returned: 101 2 Next >> 
LAT017G05 0.517241379310345
LAT015C09 0.490566037735849
SPE00100616 0.462962962962963
LAT017D05 0.454545454545455
LAT016D06 0.444444444444444
LAT016C09 0.363636363636364

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