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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 31 32 33 34 35 36 37 38 39 40  Next >> [103]
Species: 4932
Condition: LAT1
Replicates: 2
Raw OD Value: r im 0.6646±0.00912168
Normalized OD Score: sc h 1.0013±0.0128066
Z-Score: 0.0837±0.636374
p-Value: 0.653856
Z-Factor: -17.9838
Fitness Defect: 0.4249
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|G2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2008-04-23 YYYY-MM-DD
Plate CH Control (+):0.040675±0.00085
Plate DMSO Control (-):0.6481250000000001±0.01861
Plate Z-Factor:0.9022
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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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