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Compound InformationSONAR Target prediction
Name:

KOPARIN

Unique Identifier:SPE00200422
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H12O6
Molecular Weight:288.168 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:COc1ccc(c(O)c1O)C1=COc2cc(O)ccc2C1=O
Class:isoflavone
Source:Castanospermum australe
Reference:Aust J Chem 30:1827 (1977)

Found: 31 active | as graph: single | with analogs [1] << Back 31
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.4081±0.027365
Normalized OD Score: sc h 0.7429±0.0451437
Z-Score: -7.1932±1.27136
p-Value: 0.000000000154507
Z-Factor: 0.223007
Fitness Defect: 22.5908
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.04085±0.00043
Plate DMSO Control (-):0.53375±0.01083
Plate Z-Factor:0.9136
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 8155 | Additional Members: 16 | Rows returned: 2
SPE00201187 0.296296296296296
SPE00102007 0

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