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Compound InformationSONAR Target prediction
Name:

KOPARIN 2--METHYL ETHER

Unique Identifier:SPE00200416
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:300.178 g/mol
X log p:13.425  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:3
Canonical Smiles:COc1ccc(c(OC)c1O)C1=COc2cc(O)ccc2C1=O
Class:isoflavone
Source:Myroxylon peruiferum
Reference:Phytochemistry 18: 815 (1971)

Found: 192 nonactive as graph: single | with analogs [1] << Back 181 182 183 184 185 186 187 188 189 190  Next >> [192]
Species: 4932
Condition: TRK1
Replicates: 2
Raw OD Value: r im 0.4896±0.00318198
Normalized OD Score: sc h 0.9662±0.00383571
Z-Score: -1.0466±0.116379
p-Value: 0.2969
Z-Factor: -3.6193
Fitness Defect: 1.2144
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2008-03-14 YYYY-MM-DD
Plate CH Control (+):0.0399±0.00066
Plate DMSO Control (-):0.4864±0.01839
Plate Z-Factor:0.8605
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DBLink | Rows returned: 1
6710647 7-hydroxy-3-(3-hydroxy-2,4-dimethoxy-phenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 2
SPE00201309 0.9118
SPE00201310 0.9265

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

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