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Compound InformationSONAR Target prediction
Name:

HAEMATOMMIC ACID, ETHYL ESTER

Unique Identifier:SPE00205071
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:212.115 g/mol
X log p:5.229  (online calculus)
Lipinksi Failures1
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:4
Canonical Smiles:CCOC(=O)c1c(C)cc(O)c(C=O)c1O
Class:aromatic
Source:various lichens, e.g. Evernia spp, Parmelia spp
Reference:J Org Chem 42: 2526 (1977); Helv Chim Acta 72: 1061 (1989)

Found: 201 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [201]
Species: 4932
Condition: BIM1
Replicates: 2
Raw OD Value: r im 0.5159±0.0000707107
Normalized OD Score: sc h 0.7685±0.000297276
Z-Score: -11.8925±0.956836
p-Value: 1.70414e-29
Z-Factor: 0.673601
Fitness Defect: 66.2419
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.30 Celcius
Date:2008-06-24 YYYY-MM-DD
Plate CH Control (+):0.04025±0.00066
Plate DMSO Control (-):0.659825±0.01603
Plate Z-Factor:0.9233
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DBLink | Rows returned: 1
3940691 ethyl 3-formyl-2,4-dihydroxy-6-methyl-benzoate

internal high similarity DBLink | Rows returned: 1
SPE00210072 0.9467

active | Cluster 3139 | Additional Members: 3 | Rows returned: 1
SPE01400131 0

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