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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 71 72 73 74 75 76 77 78 79 80  Next >> [104]
Species: 4932
Condition: SSE1
Replicates: 2
Raw OD Value: r im 0.4136±0.038608
Normalized OD Score: sc h 0.9755±0.0605894
Z-Score: -0.6156±1.58462
p-Value: 0.348096
Z-Factor: -7.97121
Fitness Defect: 1.0553
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|F5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2008-05-01 YYYY-MM-DD
Plate CH Control (+):0.041±0.00107
Plate DMSO Control (-):0.397525±0.02290
Plate Z-Factor:0.8213
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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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