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Compound InformationSONAR Target prediction
Name:

DAIDZEIN

Unique Identifier:SPE00200789
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:244.158 g/mol
X log p:16.755  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:1
Canonical Smiles:Oc1ccc(cc1)C1=COc2cc(O)ccc2C1=O
Class:isoflavone
Source:red clover
Reference:J Chem Soc 1933: 274
Therapeutics:phytoestrogen

Found: 205 nonactive as graph: single | with analogs [1] << Back 161 162 163 164 165 166 167 168 169 170  Next >> [205]
Species: 4932
Condition: PEP5
Replicates: 2
Raw OD Value: r im 0.6838±0.00756604
Normalized OD Score: sc h 0.9922±0.00316919
Z-Score: -0.4132±0.184964
p-Value: 0.682016
Z-Factor: -16.3628
Fitness Defect: 0.3827
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2008-08-14 YYYY-MM-DD
Plate CH Control (+):0.047674999999999995±0.00129
Plate DMSO Control (-):0.6678999999999999±0.01552
Plate Z-Factor:0.9191
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DBLink | Rows returned: 1
5281708 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 161 2 3 Next >> 
SPE00201355 0.9070
SPE00240645 0.9141
SPE00201310 0.9286
SPE00201309 0.9435
BTB 12551 0.9492
SPE01500726 0.9669

nonactive | Cluster 8155 | Additional Members: 16 | Rows returned: 81 2 Next >> 
SPE00200416 0.435483870967742
SPE00200422 0.396551724137931
SPE00201309 0.372881355932203
SPE01600568 0.366666666666667
SPE00201310 0.355932203389831
SPE00201187 0.296296296296296

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