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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 161 162 163 164 165 166 167 168 169 170  Next >> [192]
Species: 4932
Condition: SKT5
Replicates: 2
Raw OD Value: r im 0.6824±0.0123744
Normalized OD Score: sc h 0.9966±0.0182431
Z-Score: -0.1661±0.905607
p-Value: 0.527644
Z-Factor: -35.8588
Fitness Defect: 0.6393
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2008-06-17 YYYY-MM-DD
Plate CH Control (+):0.040525000000000005±0.00041
Plate DMSO Control (-):0.6823999999999999±0.01173
Plate Z-Factor:0.9330
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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

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

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