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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 101 102 103 104 Next >> [104]
Species: 4932
Condition: NPR1
Replicates: 2
Raw OD Value: r im 0.9740±0.0124451
Normalized OD Score: sc h 0.9764±0.00390626
Z-Score: 0.6303±0.332817
p-Value: 0.539772
Z-Factor: -3.46388
Fitness Defect: 0.6166
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:23|F6
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.00030000000000000003±0.00099
Plate DMSO Control (-):0.992575±0.04202
Plate Z-Factor:0.8646
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 4626 | Additional Members: 9 | Rows returned: 1
SPE01505336 0.418604651162791

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