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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 81 82 83 84 85 86 87 88 89 90  Next >> [104]
Species: 4932
Condition: SWR1
Replicates: 2
Raw OD Value: r im 0.6503±0.0026163
Normalized OD Score: sc h 0.9908±0.00755423
Z-Score: -0.3820±0.309904
p-Value: 0.709166
Z-Factor: -22.0335
Fitness Defect: 0.3437
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|F5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2008-01-31 YYYY-MM-DD
Plate CH Control (+):0.040825±0.00068
Plate DMSO Control (-):0.6134±0.02677
Plate Z-Factor:0.8397
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 4626 | Additional Members: 9 | Rows returned: 5
SPE01505336 0.418604651162791
SPE01505324 0.394736842105263
LAT007B03 0.333333333333333
LOPAC 00659 0
SPE00211363 0

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