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Compound InformationSONAR Target prediction
Name:

DALBERGIONE

Unique Identifier:SPE00201281
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:212.159 g/mol
X log p:18.209  (online calculus)
Lipinksi Failures1
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:3
Canonical Smiles:C=CC(c1ccccc1)c1cc(=O)ccc1=O
Class:quinone
Source:Dalbergia spp

Found: 72 active | as graph: single | with analogs [1] << Back 71 72
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.5073±0.00940452
Normalized OD Score: sc h 0.5511±0.00656779
Z-Score: -4.5882±0.704611
p-Value: 0.000021752
Z-Factor: 0.287832
Fitness Defect: 10.7358
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.040475±0.00029
Plate DMSO Control (-):0.5169999999999999±0.02260
Plate Z-Factor:0.8531
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DBLink | Rows returned: 1
99926 2-methoxy-5-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 9726 | Additional Members: 2 | Rows returned: 1
SPE00240828 0.557692307692308

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