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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 41 42 43 44 45 46 47 48 49 50  Next >> [90]
Species: 4932
Condition: LGE1
Replicates: 2
Raw OD Value: r im 0.1661±0.0543058
Normalized OD Score: sc h 0.2616±0.0710784
Z-Score: -12.4524±0.0729163
p-Value: 1.64775e-35
Z-Factor: 0.547475
Fitness Defect: 80.0911
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2006-02-08 YYYY-MM-DD
Plate CH Control (+):0.040275000000000005±0.00149
Plate DMSO Control (-):0.5824±0.02309
Plate Z-Factor:0.8578
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DBLink | Rows returned: 1
3503044

internal high similarity DBLink | Rows returned: 1
SPE00100540 0.9672

active | Cluster 302 | Additional Members: 10 | Rows returned: 3
LAT001E05 0.533333333333333
SPE01504164 0.485714285714286
SPE00100540 0.456140350877193

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