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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 61 62 63 64 65 66 67 68 69 70  Next >> [73]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.8280±0.0240416
Normalized OD Score: sc h 1.0166±0.0215104
Z-Score: 0.4644±0.604817
p-Value: 0.6715
Z-Factor: -4.78177
Fitness Defect: 0.3982
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:15|E3
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.0995±0.00698
Plate DMSO Control (-):0.94575±0.01640
Plate Z-Factor:0.9371
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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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