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Compound InformationSONAR Target prediction
Name:

Genistein

Unique Identifier:LOPAC 00433
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H10O5
Molecular Weight:260.158 g/mol
X log p:14.737  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:1
Canonical Smiles:Oc1ccc(cc1)C1=COc2cc(O)cc(O)c2C1=O
Class:Phosphorylation
Action:Inhibitor
Selectivity:Tyrosine kinase
Generic_name:5,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-4H-1-B
Chemical_iupac_name:GENISTEIN
Drug_type:Experimental
Kegg_compound_id:C06563
Drugbank_id:EXPT01582
Logp:1.89
Cas_registry_number:446-72-0
Drug_category:Estrogen Receptor Beta inhibitor
Organisms_affected:-1

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: PAC10
Replicates: 2
Raw OD Value: r im 0.7042±0.00169706
Normalized OD Score: sc h 1.0190±0.00697218
Z-Score: 0.8604±0.306126
p-Value: 0.400554
Z-Factor: -5.63251
Fitness Defect: 0.9149
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:7|D11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.60 Celcius
Date:2005-04-15 YYYY-MM-DD
Plate CH Control (+):0.044599999999999994±0.00168
Plate DMSO Control (-):0.66195±0.02552
Plate Z-Factor:0.8567
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DBLink | Rows returned: 2
5280961 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
11000304 6,8-dideuterio-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 172 3 Next >> 
SPE00211076 0.9008
SPE00201182 0.9084
SPE00201310 0.9141
SPE00201355 0.9225
SPE00201309 0.9286
BTB 12551 0.9355

active | Cluster 14679 | Additional Members: 9 | Rows returned: 5
SPE01500726 0.362068965517241
SPE00210296 0.269230769230769
SPE10100004 0.245283018867924
SPE00240565 0.235294117647059
SPE10100003 0

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