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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 2 3 4 5 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.0436±0.00113137
Normalized OD Score: sc h 0.0708±0.00092888
Z-Score: -26.1351±2.00165
p-Value: 0
Z-Factor: 0.934502
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:LATCA
Plate Number and Position:17|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.039775000000000005±0.00212
Plate DMSO Control (-):0.632725±0.01230
Plate Z-Factor:0.9400
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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

active | Cluster 16963 | Additional Members: 14 | Rows returned: 5
LAT015C09 0.490566037735849
SPE00100616 0.462962962962963
LAT016D06 0.444444444444444
LAT017H02 0.24
SPE00212097 0

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