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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 11 12 13 14 15 16 17 18 19 20  Next >> [104]
Species: 4932
Condition: DOA4
Replicates: 2
Raw OD Value: r im 0.6556±0.00692965
Normalized OD Score: sc h 0.9796±0.00348424
Z-Score: -0.8081±0.152327
p-Value: 0.421716
Z-Factor: -4.84184
Fitness Defect: 0.8634
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2008-05-02 YYYY-MM-DD
Plate CH Control (+):0.04005±0.00028
Plate DMSO Control (-):0.63625±0.01876
Plate Z-Factor:0.9335
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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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