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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: 101 nonactive | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [101]
Species: 4932
Condition: GIM4
Replicates: 2
Raw OD Value: r im 0.7020±0.00919239
Normalized OD Score: sc h 0.9459±0.00315573
Z-Score: -2.5101±0.115382
p-Value: 0.0123568
Z-Factor: -0.745884
Fitness Defect: 4.3935
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.00 Celcius
Date:2008-03-20 YYYY-MM-DD
Plate CH Control (+):0.040475±0.00083
Plate DMSO Control (-):0.71635±0.01906
Plate Z-Factor:0.9067
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DBLink | Rows returned: 0

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

active | Cluster 8942 | Additional Members: 11 | Rows returned: 71 2 Next >> 
SPE00210242 0.443181818181818
SPE00201515 0.402439024390244
SPE00201506 0.364864864864865
SPE00201507 0.287878787878788
SPE00201513 0.242424242424242
SPE00210238 0.230769230769231

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