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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 21 22 23 24 25 26 27 28 29 30  Next >> [31]
Species: 4932
Condition: SSE1
Replicates: 2
Raw OD Value: r im 0.3515±0.0243952
Normalized OD Score: sc h 0.8131±0.044621
Z-Score: -4.9996±0.892237
p-Value: 0.00000625884
Z-Factor: -0.412878
Fitness Defect: 11.9815
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2008-05-01 YYYY-MM-DD
Plate CH Control (+):0.041125±0.00127
Plate DMSO Control (-):0.41065±0.02097
Plate Z-Factor:0.8202
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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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