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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 2 3 4 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.2117±0.0424971
Normalized OD Score: sc h 0.3401±0.0632031
Z-Score: -18.4522±0.386234
p-Value: 0
Z-Factor: -1.18807
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:24.90 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.040175±0.00183
Plate DMSO Control (-):0.629975±0.20881
Plate Z-Factor:-0.0737
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DBLink | Rows returned: 1
3503044

internal high similarity DBLink | Rows returned: 1
SPE00100543 1.0000

nonactive | Cluster 302 | Additional Members: 10 | Rows returned: 7<< Back 1 2
LAT011B08 0

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