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Compound InformationSONAR Target prediction
Name:

DIHYDRO-OBLIQUIN

Unique Identifier:SPE00100543
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14H14O4
Molecular Weight:232.147 g/mol
X log p:9.123  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:1
Canonical Smiles:CC(C)C1COc2cc3OC(=O)C=Cc3cc2O1
Source:derivative
Reference:J Chem Soc 1966: 114

Found: 90 active | as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90 Next >> [90]
Species: 4932
Condition: TIF3
Replicates: 2
Raw OD Value: r im 0.4387±0.00820244
Normalized OD Score: sc h 0.7025±0.020022
Z-Score: -13.9835±1.34217
p-Value: 3.89512e-39
Z-Factor: 0.486706
Fitness Defect: 88.4411
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.30 Celcius
Date:2007-10-31 YYYY-MM-DD
Plate CH Control (+):0.04245±0.00134
Plate DMSO Control (-):0.607475±0.01902
Plate Z-Factor:0.8971
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DBLink | Rows returned: 1
3503044

internal high similarity DBLink | Rows returned: 1
SPE00100540 0.9672

nonactive | Cluster 302 | Additional Members: 10 | Rows returned: 71 2 Next >> 
LAT014H11 0.542372881355932
LAT001E05 0.533333333333333
SPE01504164 0.485714285714286
SPE00100540 0.456140350877193
SPE01504163 0.435483870967742
SPE01504162 0.375

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