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Compound InformationSONAR Target prediction
Name:

DANTHRON

Unique Identifier:SPE00211468
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:232.147 g/mol
X log p:11.828  (online calculus)
Lipinksi Failures1
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:Oc1cccc2c(=O)c3cccc(O)c3c(=O)c12
Class:quinone
Source:Rheum palmatum, Xyris semifuscata
Reference:JACS 53: 4112 (1931)
Therapeutics:cathartic

Found: 70 nonactive | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [70]
Species: 4932
Condition: PFK2
Replicates: 2
Raw OD Value: r im 0.4852±0.0195869
Normalized OD Score: sc h 0.9596±0.00491672
Z-Score: -1.2985±0.177164
p-Value: 0.197613
Z-Factor: -8.17191
Fitness Defect: 1.6214
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:25|H11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2008-05-10 YYYY-MM-DD
Plate CH Control (+):0.040249999999999994±0.00036
Plate DMSO Control (-):0.507525±0.03026
Plate Z-Factor:0.6793
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DBLink | Rows returned: 1
2950 1,8-dihydroxyanthracene-9,10-dione

internal high similarity DBLink | Rows returned: 0

active | Cluster 7565 | Additional Members: 10 | Rows returned: 5
SPE00300038 0.564102564102564
SPE01505129 0.475
SPE00300545 0.35
LAT015F08 0.333333333333333
LAT005A05 0

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