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Compound InformationSONAR Target prediction
Name:

EPITHEAFLAVIN MONOGALLATE

Unique Identifier:SPE00241155
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:688.376 g/mol
X log p:21.02  (online calculus)
Lipinksi Failures2
TPSA61.83
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:16
Rotatable Bond Count:5
Canonical Smiles:OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c2C(=O)C(O)=CC(=Cc12)C1Oc2cc(O)cc(O)c2
CC1OC(=O)c1cc(O)c(O)c(O)c1
Source:mixed isomers black tea (3- shown)
Reference:Tet Lets 1970: 5237

Found: 107 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [107]
Species: 4932
Condition: ARF1
Replicates: 2
Raw OD Value: r im 0.5093±0.0135764
Normalized OD Score: sc h 0.7470±0.0181854
Z-Score: -12.2566±0.921333
p-Value: 1.94018e-31
Z-Factor: 0.0309884
Fitness Defect: 70.7174
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|A2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2007-10-02 YYYY-MM-DD
Plate CH Control (+):0.04212500000000001±0.00092
Plate DMSO Control (-):0.6622±0.03866
Plate Z-Factor:0.7899
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 2
SPE00201515 0.9936
SPE00210242 1.0000

nonactive | Cluster 8942 | Additional Members: 11 | Rows returned: 8<< Back 1 2
SPE00210238 0.230769230769231
SPE00210239 0

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