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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: 601 nonactive | as graph: single | with analogs [1] << Back 131 132 133 134 135 136 137 138 139 140  Next >> [601]
Species: 4932
Condition: SPE00270029
Replicates: 2
Raw OD Value: r im 0.4657±0.00855599
Normalized OD Score: sc h 1.2641±0.29872
Z-Score: 2.6635±2.74685
p-Value: 0.235388
Z-Factor: -4.57715
Fitness Defect: 1.4465
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.60 Celcius
Date:2006-12-21 YYYY-MM-DD
Plate CH Control (+):0.039349999999999996±0.00222
Plate DMSO Control (-):0.5367±0.04914
Plate Z-Factor:0.6899
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DBLink | Rows returned: 101 2 Next >> 
26862 3-(2-methoxyphenyl)prop-2-enoic acid
259297 3-(3-methoxyphenanthren-4-yl)prop-2-enoic acid
734154 (E)-3-(2-methoxyphenyl)prop-2-enoic acid
1622530 (E)-3-(2-methoxyphenyl)prop-2-enoic acid
3601106 3-(2-methoxynaphthalen-1-yl)prop-2-enoic acid
3620207 3-(2-methoxyphenyl)prop-2-enoate

internal high similarity DBLink | Rows returned: 0

active | Cluster 16009 | Additional Members: 2 | Rows returned: 0
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