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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: 97 nonactive | as graph: single | with analogs [1] << Back 91 92 93 94 95 96 97 Next >> [97]
Species: 4932
Condition: UBP8
Replicates: 2
Raw OD Value: r im 0.6639±0.0191626
Normalized OD Score: sc h 0.9832±0.023437
Z-Score: -0.6904±0.965517
p-Value: 0.581782
Z-Factor: -24.6275
Fitness Defect: 0.5417
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|A9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2007-10-17 YYYY-MM-DD
Plate CH Control (+):0.040125±0.00046
Plate DMSO Control (-):0.648075±0.09306
Plate Z-Factor:0.5150
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DBLink | Rows returned: 71 2 Next >> 
91510
161298
363863
373519
454895
1715306

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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