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Compound InformationSONAR Target prediction
Name:

VALERYL SALYCILATE

Unique Identifier:SPE01505336
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C12H14O4
Molecular Weight:208.126 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CCCCC(=O)Oc1ccccc1C(O)=O
Source:synthetic
Reference:Arch Biochem Biophys 317:19 (1995); OphthalmolVis Sci 39:1888 (1998)
Therapeutics:COX-1 inhibitor

Found: 103 nonactive | as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [103]
Species: 4932
Condition: NDI1
Replicates: 2
Raw OD Value: r im 0.6917±0.00487904
Normalized OD Score: sc h 0.9935±0.000930213
Z-Score: -0.3003±0.0430733
p-Value: 0.764072
Z-Factor: -112.161
Fitness Defect: 0.2691
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|G2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.50 Celcius
Date:2008-03-13 YYYY-MM-DD
Plate CH Control (+):0.039900000000000005±0.00091
Plate DMSO Control (-):0.6954250000000001±0.01862
Plate Z-Factor:0.9082
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 4626 | Additional Members: 9 | Rows returned: 0
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