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Compound InformationSONAR Target prediction
Name:

COUMARINIC ACID METHYL ETHER

Unique Identifier:SPE00210568
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:168.105 g/mol
X log p:12.034  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:3
Canonical Smiles:COc1ccccc1C=CC(O)=O
Class:aromatic
Source:aglycone Melilotus alba, Dipteryx odorata

Found: 2 active | as graph: single | with analogs 1 2 Next >> 
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.6890±0.0772161
Normalized OD Score: sc h 1.2638±0.0246154
Z-Score: 5.5851±0.991519
p-Value: 0.000000519944
Z-Factor: 0.293612
Fitness Defect: 14.4695
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|D3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2005-12-20 YYYY-MM-DD
Plate CH Control (+):0.039125±0.00116
Plate DMSO Control (-):0.66885±0.02433
Plate Z-Factor:0.8784
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DBLink | Rows returned: 10<< Back 1 2
5380196 (E)-3-(3-methoxyphenanthren-4-yl)prop-2-enoic acid
5555148 (E)-3-(2-methoxyphenyl)prop-2-enoate
5872119 (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoic acid
7014941 (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 16009 | Additional Members: 2 | Rows returned: 1
SPE00100756 0

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