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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 Next >> 
Species: 4932
Condition: wt18h
Replicates: 2
Raw OD Value: r im 0.7522±0.00707107
Normalized OD Score: sc h 0.9732±0.0207307
Z-Score: -0.7521±0.741139
p-Value: 0.51073
Z-Factor: -3.58631
Fitness Defect: 0.6719
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:14|H11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.039775000000000005±0.00152
Plate DMSO Control (-):0.774725±0.01369
Plate Z-Factor:0.9140
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DBLink | Rows returned: 3
677578
677579
2841563

internal high similarity DBLink | Rows returned: 0

active | Cluster 302 | Additional Members: 10 | Rows returned: 4
LAT001E05 0.533333333333333
SPE00100543 0.533333333333333
SPE01504164 0.485714285714286
SPE00100540 0.456140350877193

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