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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 591 592 593 594 595 596 597 598 599 600  Next >> [601]
Species: 4932
Condition: VBA3
Replicates: 2
Raw OD Value: r im 0.6749±0.00558614
Normalized OD Score: sc h 0.9962±0.00335149
Z-Score: -0.1993±0.174465
p-Value: 0.843218
Z-Factor: -11.0117
Fitness Defect: 0.1705
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:15|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2008-03-12 YYYY-MM-DD
Plate CH Control (+):0.041425000000000003±0.00093
Plate DMSO Control (-):0.6540250000000001±0.01177
Plate Z-Factor:0.9433
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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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