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Compound InformationSONAR Target prediction
Name:

Novel

Unique Identifier:LAT014H11
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14H12O4
Molecular Weight:232.147 g/mol
X log p:8.382  (online calculus)
Lipinksi Failures1
TPSA52.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:1
Canonical Smiles:CC(C)C1Oc2cc3OC(=O)C=Cc3cc2C1=O

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 0.7545±0.0240416
Normalized OD Score: sc h 0.9583±0.0177963
Z-Score: -1.6135±0.21333
p-Value: 0.110624
Z-Factor: -1.7685
Fitness Defect: 2.2016
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:14|H11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.0403±0.00176
Plate DMSO Control (-):0.7817750000000001±0.01430
Plate Z-Factor:0.9072
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DBLink | Rows returned: 3
677578
677579
2841563

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 302 | Additional Members: 10 | Rows returned: 71 2 Next >> 
LAT001E05 0.533333333333333
SPE00100543 0.533333333333333
SPE01504164 0.485714285714286
SPE00100540 0.456140350877193
SPE01504163 0.435483870967742
SPE01504162 0.375

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