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Compound InformationSONAR Target prediction
Name:

QUERCETIN PENTAMETHYL ETHER

Unique Identifier:SPE01600075
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:352.21 g/mol
X log p:12.426  (online calculus)
Lipinksi Failures1
TPSA72.45
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:6
Canonical Smiles:COc1cc(OC)c2C(=O)C(OC)=C(Oc2c1)c1ccc(OC)c(OC)c1
Class:flavone
Source:derivative

Found: 205 nonactive as graph: single | with analogs [1] << Back 191 192 193 194 195 196 197 198 199 200  Next >> [205]
Species: 4932
Condition: TPK1
Replicates: 2
Raw OD Value: r im 0.7074±0.00565685
Normalized OD Score: sc h 1.0139±0.00106985
Z-Score: 0.6692±0.0501571
p-Value: 0.503636
Z-Factor: -4.87745
Fitness Defect: 0.6859
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|D10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2008-04-25 YYYY-MM-DD
Plate CH Control (+):0.040725±0.00111
Plate DMSO Control (-):0.68125±0.01529
Plate Z-Factor:0.9263
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DBLink | Rows returned: 2
97332 2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-chromen-4-one
634113 3,5,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 2
SPE01500732 0.9091
SPE00300538 0.9305

active | Cluster 7222 | Additional Members: 3 | Rows returned: 1
SPE01505380 0.259259259259259

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