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Compound InformationSONAR Target prediction
Name:

Diclofenac sodium

Unique Identifier:LOPAC 00042
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14Cl2H10NNaO2
Molecular Weight:308.051 g/mol
X log p:15.939  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:5
Canonical Smiles:[Na]OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Class:Prostaglandin
Action:Inhibitor
Selectivity:COX

Found: 24 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.7706±0.07903
Normalized OD Score: sc h 0.9779±0.020121
Z-Score: -0.8146±0.726975
p-Value: 0.41817
Z-Factor: -23.6483
Fitness Defect: 0.8719
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:6|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.046787499999999996±0.00101
Plate DMSO Control (-):0.7538062500000003±0.03766
Plate Z-Factor:0.8896
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
SPE01500237 0.9136

active | Cluster 2098 | Additional Members: 5 | Rows returned: 1
SPE01500237 0

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