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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 551 552 553 554 555 556 557 558 559 560  Next >> [601]
Species: 4932
Condition: MSO1
Replicates: 2
Raw OD Value: r im 0.7245±0.0108894
Normalized OD Score: sc h 1.0047±0.00980156
Z-Score: 0.2389±0.493762
p-Value: 0.73436
Z-Factor: -17.3803
Fitness Defect: 0.3088
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:15|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2008-02-27 YYYY-MM-DD
Plate CH Control (+):0.04190000000000001±0.00275
Plate DMSO Control (-):0.7002250000000001±0.02366
Plate Z-Factor:0.9169
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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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