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Compound InformationSONAR Target prediction
Name:

Novel

Unique Identifier:LAT016D06
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14ClH11O3
Molecular Weight:251.601 g/mol
X log p:15.477  (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)Cc1cccc(Cl)c1

Found: 4 active | as graph: single | with analogs << Back 1 2 3 4
Species: 4932
Condition: wt18h
Replicates: 2
Raw OD Value: r im 0.4213±0.0240416
Normalized OD Score: sc h 0.5375±0.0253662
Z-Score: -13.1688±3.01612
p-Value: 1.27961e-28
Z-Factor: 0.732963
Fitness Defect: 64.2258
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:16|D6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.039749999999999994±0.00219
Plate DMSO Control (-):0.8140499999999999±0.01292
Plate Z-Factor:0.9227
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DBLink | Rows returned: 2
689037 2-(3-chlorophenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
729356 2-(3-chlorophenyl)-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
LAT017D07 0.32
LAT017H02 0.24
SPE00212097 0

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