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Compound InformationSONAR Target prediction
Name:

THEAFLAVIN MONOGALLATES

Unique Identifier:SPE00210242
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
Class:benztropolone
Source:mixed isomers black tea (3- shown)
Reference:Tet Lets 1970: 5237

Found: 155 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [155]
Species: 4932
Condition: ARF1
Replicates: 2
Raw OD Value: r im 0.5548±0.0343654
Normalized OD Score: sc h 0.8279±0.0427106
Z-Score: -8.3406±2.09655
p-Value: 0.00000000000348766
Z-Factor: -5.94111
Fitness Defect: 26.3818
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.00 Celcius
Date:2007-10-02 YYYY-MM-DD
Plate CH Control (+):0.040475±0.00060
Plate DMSO Control (-):0.670575±0.13593
Plate Z-Factor:0.2933
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 2
SPE00201515 0.9936
SPE00241155 1.0000

active | Cluster 8942 | Additional Members: 11 | Rows returned: 7<< Back 1 2
SPE00210239 0

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