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Compound InformationSONAR Target prediction
Name:

Dihydro-Obliquin

Unique Identifier:LAT001E05
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

Found: 1 nonactive | as graph: single | with analogs
Species: 4932
Condition: wt24h
Replicates: 2
Raw OD Value: r im 0.7757±0.0313955
Normalized OD Score: sc h 0.9551±0.0396527
Z-Score: -1.6596±1.16975
p-Value: 0.20901
Z-Factor: -2.69421
Fitness Defect: 1.5654
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:1|E5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.039599999999999996±0.00150
Plate DMSO Control (-):0.79905±0.01174
Plate Z-Factor:0.9475
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DBLink | Rows returned: 1
3503044

internal high similarity DBLink | Rows returned: 1
SPE00100543 1.0000

active | Cluster 302 | Additional Members: 10 | Rows returned: 3
SPE00100543 0.533333333333333
SPE01504164 0.485714285714286
SPE00100540 0.456140350877193

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