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Compound InformationSONAR Target prediction
Name:

Novel

Unique Identifier:LAT017H02
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C17H18O4
Molecular Weight:268.18 g/mol
X log p:15.142  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:5
Canonical Smiles:CC(C)Oc1ccc(CC(=O)c2ccc(O)cc2O)cc1

Found: 4 active | as graph: single | with analogs << Back 1 2 3 4
Species: 4932
Condition: wt18h
Replicates: 2
Raw OD Value: r im 0.6254±0.0668216
Normalized OD Score: sc h 0.7786±0.118937
Z-Score: -5.9499±2.27767
p-Value: 0.00000714434
Z-Factor: -0.921003
Fitness Defect: 11.8492
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:17|H2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.039749999999999994±0.00332
Plate DMSO Control (-):0.7671250000000001±0.01409
Plate Z-Factor:0.9341
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DBLink | Rows returned: 1
765925 1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)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
LAT017D07 0.32
SPE00212097 0

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