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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 11 12 13 14 15 16 17 18 19 20  Next >> [601]
Species: 4932
Condition: BBR_HET_tri_24h
Replicates: 2
Raw OD Value: r im 0.7839±0.0287085
Normalized OD Score: sc h 0.9925±0.0172641
Z-Score: -0.2473±0.68679
p-Value: 0.637614
Z-Factor: -7.53558
Fitness Defect: 0.45
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.10 Celcius
Date:2007-04-11 YYYY-MM-DD
Plate CH Control (+):0.041325±0.00176
Plate DMSO Control (-):0.794675±0.01899
Plate Z-Factor:0.9426
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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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