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Compound InformationSONAR Target prediction
Name:

FRAXIDIN METHYL ETHER

Unique Identifier:SPE00100572
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:224.125 g/mol
X log p:7.438  (online calculus)
Lipinksi Failures1
TPSA53.99
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:3
Canonical Smiles:COc1cc2C=CC(=O)Oc2c(OC)c1OC
Class:coumarin
Source:derivative

Found: 192 nonactive as graph: single | with analogs [1] << Back 191 192 Next >> [192]
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6236±0.0280014
Normalized OD Score: sc h 0.9522±0.0104891
Z-Score: -1.6349±0.279108
p-Value: 0.108732
Z-Factor: -3.09981
Fitness Defect: 2.2189
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2008-09-16 YYYY-MM-DD
Plate CH Control (+):0.04105±0.00058
Plate DMSO Control (-):0.670625±0.02966
Plate Z-Factor:0.8333
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DBLink | Rows returned: 2
3083928 6,7,8-trimethoxychromen-2-one
5518297 5-hydroxy-7,8-dimethoxy-chromen-2-one

internal high similarity DBLink | Rows returned: 3
SPE01502242 0.9118
SPE01504069 0.9412
NRB 03190 0.9510

nonactive | Cluster 2974 | Additional Members: 2 | Rows returned: 1
SPE01504069 0.4375

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