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Compound InformationSONAR Target prediction
Name:

MAACKIAIN

Unique Identifier:SPE00201654
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H12O5
Molecular Weight:272.168 g/mol
X log p:12.175  (online calculus)
Lipinksi Failures1
TPSA36.92
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:0
Canonical Smiles:Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1
Source:ex Maackia spp
Reference:Experientia 18: 161 (1962)

Found: 4 active | as graph: single | with analogs << Back 1 2 3 4 Next >> 
Species: 4932
Condition: TIF3
Replicates: 2
Raw OD Value: r im 0.5482±0.0130815
Normalized OD Score: sc h 0.9056±0.00281665
Z-Score: -4.4344±0.259779
p-Value: 0.0000125915
Z-Factor: -11.8235
Fitness Defect: 11.2825
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|A9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2007-10-31 YYYY-MM-DD
Plate CH Control (+):0.042175±0.00056
Plate DMSO Control (-):0.6024499999999999±0.11136
Plate Z-Factor:0.3654
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DBLink | Rows returned: 7<< Back 1 2
7000208

internal high similarity DBLink | Rows returned: 1
SPE01401019 0.9691

active | Cluster 10591 | Additional Members: 3 | Rows returned: 2
SPE00100743 0.567164179104478
SPE01401019 0.393939393939394

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