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Compound InformationSONAR Target prediction
Name:

ELLAGIC ACID

Unique Identifier:SPE01502245
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:296.145 g/mol
X log p:5.24  (online calculus)
Lipinksi Failures1
TPSA52.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:0
Canonical Smiles:Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34
Class:aromatic
Source:widely distributed in higher plants
Therapeutics:hemostatic, antineoplastic, antimutagenic

Found: 52 nonactive | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [52]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6555±0.00275772
Normalized OD Score: sc h 0.9334±0.00149798
Z-Score: -3.6178±0.135926
p-Value: 0.00031648
Z-Factor: -184.55
Fitness Defect: 8.0583
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:11|H11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.10 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.0413±0.00072
Plate DMSO Control (-):0.6760250000000001±0.16785
Plate Z-Factor:0.1452
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DBLink | Rows returned: 1
5281855

internal high similarity DBLink | Rows returned: 0

active | Cluster 1228 | Additional Members: 2 | Rows returned: 0

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