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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 201 202 203 204 205 Next >> [205]
Species: 4932
Condition: VPH1
Replicates: 2
Raw OD Value: r im 0.4038±0.00954594
Normalized OD Score: sc h 0.9133±0.000100872
Z-Score: -1.5689±0.089321
p-Value: 0.117404
Z-Factor: -0.7435
Fitness Defect: 2.1421
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2008-03-01 YYYY-MM-DD
Plate CH Control (+):0.0404±0.00186
Plate DMSO Control (-):0.40549999999999997±0.02142
Plate Z-Factor:0.7464
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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

active | Cluster 8155 | Additional Members: 16 | Rows returned: 3
SPE00200422 0.396551724137931
SPE00201187 0.296296296296296
SPE00102007 0

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