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Compound InformationSONAR Target prediction
Name:

Piceatannol

Unique Identifier:LOPAC 01122
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14H12O4
Molecular Weight:232.147 g/mol
X log p:17.259  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1
Class:Phosphorylation
Action:Inhibitor
Selectivity:Syk / Lck

Found: 2 active | as graph: single | with analogs << Back 1 2
Species: 4932
Condition: PAC10
Replicates: 2
Raw OD Value: r im 0.5161±0.236457
Normalized OD Score: sc h 0.6910±0.316521
Z-Score: -13.9599±14.2159
p-Value: 0.000046577
Z-Factor: -2.78437
Fitness Defect: 9.9744
Bioactivity Statement: Outlier
Experimental Conditions
Library:Lopac
Plate Number and Position:12|D6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.60 Celcius
Date:2005-04-15 YYYY-MM-DD
Plate CH Control (+):0.045075000000000004±0.00073
Plate DMSO Control (-):0.7179500000000001±0.03738
Plate Z-Factor:0.9379
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DBLink | Rows returned: 3
4813 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol
667639 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol
6603962 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol

internal high similarity DBLink | Rows returned: 3
SPE00201066 0.9250
SPE01502223 0.9750
LOPAC 00461 0.9762

nonactive | Cluster 1910 | Additional Members: 8 | Rows returned: 5
SPE01504044 0.394736842105263
SPE00201066 0.352941176470588
LOPAC 00461 0
Prest619 0
SPE01502223 0

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