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Compound InformationSONAR Target prediction
Name:

Daphnetin

Unique Identifier:LOPAC 00840
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C9H6O4
Molecular Weight:172.094 g/mol
X log p:8.826  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:Oc1ccc2C=CC(=O)Oc2c1O
Class:Phosphorylation
Action:Inhibitor
Selectivity:PK

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: GIM3
Replicates: 4
Raw OD Value: r im 0.6476±0.0633672
Normalized OD Score: sc h 1.2033±0.231909
Z-Score: 3.3000±3.63715
p-Value: 0.24802
Z-Factor: -2.7509
Fitness Defect: 1.3942
Bioactivity Statement: Outlier
Experimental Conditions
Library:Lopac
Plate Number and Position:5|A11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.50 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.04558749999999999±0.00093
Plate DMSO Control (-):0.6860375000000001±0.11800
Plate Z-Factor:0.2660
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DBLink | Rows returned: 1
5280569 7,8-dihydroxychromen-2-one

internal high similarity DBLink | Rows returned: 3
SPE01502242 0.9063
SPE01500899 0.9348
SPE01504069 0.9375

nonactive | Cluster 16396 | Additional Members: 2 | Rows returned: 1
SPE01504141 0

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