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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 11 12 13 14 15 16 17 18 19 20  Next >> [192]
Species: 4932
Condition: CIN2
Replicates: 2
Raw OD Value: r im 0.8003±0.0164756
Normalized OD Score: sc h 0.9802±0.016409
Z-Score: -1.1099±0.905897
p-Value: 0.359418
Z-Factor: -5.23697
Fitness Defect: 1.0233
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|A10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.40 Celcius
Date:2006-02-14 YYYY-MM-DD
Plate CH Control (+):0.03949999999999999±0.00126
Plate DMSO Control (-):0.7910250000000001±0.02006
Plate Z-Factor:0.8856
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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

nonactive | Cluster 8155 | Additional Members: 16 | Rows returned: 81 2 Next >> 
SPE00200422 0.396551724137931
SPE00201309 0.372881355932203
SPE01600568 0.366666666666667
SPE00201310 0.355932203389831
SPE00201187 0.296296296296296
LOPAC 00426 0.274509803921569

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