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Compound InformationSONAR Target prediction
Name:

Novel

Unique Identifier:LAT011B08
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14H12O3
Molecular Weight:216.148 g/mol
X log p:8.768  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:1
Canonical Smiles:CC(=C)C1Cc2cc3C=CC(=O)Oc3cc2O1

Found: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5
Species: 4932
Condition: wt24h
Replicates: 2
Raw OD Value: r im 0.7807±0.0121622
Normalized OD Score: sc h 0.9886±0.0178423
Z-Score: -0.4140±1.11622
p-Value: 0.468158
Z-Factor: -6.72245
Fitness Defect: 0.7589
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:11|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.0409±0.00334
Plate DMSO Control (-):0.769475±0.01337
Plate Z-Factor:0.9484
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DBLink | Rows returned: 3
611672
759292
759293

internal high similarity DBLink | Rows returned: 1
CB 5648197 1.0000

nonactive | Cluster 302 | Additional Members: 10 | Rows returned: 71 2 Next >> 
LAT014H11 0.542372881355932
LAT001E05 0.533333333333333
SPE00100543 0.533333333333333
SPE01504164 0.485714285714286
SPE00100540 0.456140350877193
SPE01504163 0.435483870967742

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