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Compound InformationSONAR Target prediction
Name:

BISSALICYL FUMARATE

Unique Identifier:SPE01505324
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H12O8
Molecular Weight:344.188 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:OC(=O)c1ccccc1OC(=O)C=CC(=O)Oc1ccccc1C(O)=O
Source:synthetic
Reference:J Biol Chem 255:2816 (1980)
Therapeutics:crosslinking agent (hemoglobin)

Found: 104 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [104]
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.4742±0.0142128
Normalized OD Score: sc h 0.9980±0.027241
Z-Score: -0.0533±0.799903
p-Value: 0.5722
Z-Factor: -53.4617
Fitness Defect: 0.5583
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2008-02-05 YYYY-MM-DD
Plate CH Control (+):0.041525±0.00079
Plate DMSO Control (-):0.466375±0.01625
Plate Z-Factor:0.8580
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 4626 | Additional Members: 9 | Rows returned: 5
SPE01505336 0.418604651162791
LAT007B03 0.333333333333333
LOPAC 00659 0
SPE00211363 0
SPE01500130 0

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