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Compound InformationSONAR Target prediction
Name:

Tiaprofenic acid

Unique Identifier:Prest814
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14H12O3S
Molecular Weight:248.214 g/mol
X log p:13.678  (online calculus)
Lipinksi Failures1
TPSA59.44
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:CC(C(O)=O)c1sc(cc1)C(=O)c1ccccc1

Found: 1 active | as graph: single | with analogs
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 15292.0000±0
Normalized OD Score: sc h 0.8527±0
Z-Score: -4.0978±0
p-Value: 0.000041701
Z-Factor: -1.85762
Fitness Defect: 10.085
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:7|B7
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.10 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):18050±2247.77104
Plate DMSO Control (-):18225±2038.51752
Plate Z-Factor:-32.1903
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DBLink | Rows returned: 3
5468 2-(5-benzoylthiophen-2-yl)propanoic acid
181380 (2S)-2-(5-benzoylthiophen-2-yl)propanoic acid
190591 (2R)-2-(5-benzoylthiophen-2-yl)propanoic acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 1218 | Additional Members: 4 | Rows returned: 0
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