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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: 73 nonactive | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [73]
Species: 4932
Condition: VBA3
Replicates: 2
Raw OD Value: r im 0.6644±0.0299106
Normalized OD Score: sc h 0.9792±0.0336274
Z-Score: -1.0861±1.75803
p-Value: 0.447536
Z-Factor: -8.40877
Fitness Defect: 0.804
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.00 Celcius
Date:2008-03-12 YYYY-MM-DD
Plate CH Control (+):0.041125±0.00061
Plate DMSO Control (-):0.657125±0.02109
Plate Z-Factor:0.8977
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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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