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Compound InformationSONAR Target prediction
Name:

Ferulic Acid

Unique Identifier:LAT005C02
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10H10O4
Molecular Weight:184.105 g/mol
X log p:10.016  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:COc1cc(C=CC(O)=O)ccc1O

Found: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5
Species: 4932
Condition: wt24h
Replicates: 2
Raw OD Value: r im 0.7939±0.00869741
Normalized OD Score: sc h 0.9977±0.00329221
Z-Score: 0.0949±0.0781558
p-Value: 0.924522
Z-Factor: -10.9225
Fitness Defect: 0.0785
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:5|C2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.040275000000000005±0.00247
Plate DMSO Control (-):0.776525±0.01260
Plate Z-Factor:0.9506
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DBLink | Rows returned: 91 2 Next >> 
709 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid
445858 (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid
1548883 (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid
5082944 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
5321361 sodium (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
5460310 (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate

internal high similarity DBLink | Rows returned: 2
BIOMOL 565 1.0000
SPE01501017 1.0000

active | Cluster 10748 | Additional Members: 6 | Rows returned: 2
SPE01505140 0.43859649122807
SPE01505345 0.352941176470588

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