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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 581 582 583 584 585 586 587 588 589 590  Next >> [601]
Species: 4932
Condition: SWC5
Replicates: 2
Raw OD Value: r im 0.6722±0.0137886
Normalized OD Score: sc h 1.0176±0.0183466
Z-Score: 0.8294±0.885456
p-Value: 0.492224
Z-Factor: -10.9992
Fitness Defect: 0.7088
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:15|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2008-06-19 YYYY-MM-DD
Plate CH Control (+):0.039400000000000004±0.00042
Plate DMSO Control (-):0.645475±0.01624
Plate Z-Factor:0.9285
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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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