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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: 4 active | as graph: single | with analogs << Back 1 2 3 4 Next >> 
Species: 4932
Condition: pdr22h
Replicates: 2
Raw OD Value: r im 0.3967±0.0813173
Normalized OD Score: sc h 0.5802±0.116639
Z-Score: -16.2210±2.59682
p-Value: 0
Z-Factor: -3.4583
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:1|E5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.039875±0.00191
Plate DMSO Control (-):0.69555±0.23190
Plate Z-Factor:-0.0688
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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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