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Compound InformationSONAR Target prediction
Name:

OBLIQUIN

Unique Identifier:SPE00100540
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:232.147 g/mol
X log p:9.126  (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
Class:coumarin
Source:sneezewood or umtati, Ptaeroxylon Obliquum
Reference:J Chem Soc 1966: 114

Found: 146 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [146]
Species: 4932
Condition: BCK2
Replicates: 2
Raw OD Value: r im 0.4953±0.0281428
Normalized OD Score: sc h 0.6713±0.0287312
Z-Score: -13.8741±0.520956
p-Value: 7.2307e-42
Z-Factor: 0.545315
Fitness Defect: 94.7302
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2006-03-29 YYYY-MM-DD
Plate CH Control (+):0.03785±0.00189
Plate DMSO Control (-):0.74605±0.01532
Plate Z-Factor:0.9184
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DBLink | Rows returned: 2
5018929
6708593

internal high similarity DBLink | Rows returned: 1
SPE00100543 0.9672

nonactive | Cluster 302 | Additional Members: 10 | Rows returned: 71 2 Next >> 
LAT014H11 0.542372881355932
LAT001E05 0.533333333333333
SPE00100543 0.533333333333333
SPE01504164 0.485714285714286
SPE01504163 0.435483870967742
SPE01504162 0.375

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