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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 191 192 193 194 195 196 197 198 199 200  Next >> [201]
Species: 4932
Condition: TIF3
Replicates: 2
Raw OD Value: r im 0.0583±0.000282843
Normalized OD Score: sc h 0.0943±0.000407291
Z-Score: -42.5349±1.24256
p-Value: 0
Z-Factor: -0.284754
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|F7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2007-10-31 YYYY-MM-DD
Plate CH Control (+):0.042±0.00072
Plate DMSO Control (-):0.6058250000000001±0.20089
Plate Z-Factor:-0.2519
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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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