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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 41 42 43 44 45 46 47 48 49 50  Next >> [104]
Species: 4932
Condition: MT2481-pdr1pdr3-1st
Replicates: 2
Raw OD Value: r im 0.6330±0.00898026
Normalized OD Score: sc h 1.0018±0.00140161
Z-Score: 0.0831±0.0664179
p-Value: 0.933828
Z-Factor: -9.50378
Fitness Defect: 0.0685
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|F5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-01-25 YYYY-MM-DD
Plate CH Control (+):0.040150000000000005±0.00117
Plate DMSO Control (-):0.6094250000000001±0.01417
Plate Z-Factor:0.9269
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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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