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Compound InformationSONAR Target prediction
Name:

ASPIRIN

Unique Identifier:SPE01500130
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C9H8O4
Molecular Weight:172.094 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC(=O)Oc1ccccc1C(O)=O
Source:synthetic
Therapeutics:analgesic, antipyretic, antiinflammatory

Found: 104 nonactive as graph: single | with analogs [1] << Back 101 102 103 104
Species: 4932
Condition: TOR1
Replicates: 2
Raw OD Value: r im 0.9633±0.00381838
Normalized OD Score: sc h 0.9777±0.0122194
Z-Score: 0.6380±0.400786
p-Value: 0.539846
Z-Factor: -2.60671
Fitness Defect: 0.6165
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:11|H5
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.001375±0.00329
Plate DMSO Control (-):0.99535±0.02011
Plate Z-Factor:0.9339
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 4626 | Additional Members: 9 | Rows returned: 1
SPE01505336 0.418604651162791

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