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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 41 42 43 44 45 46 47 48 49 50  Next >> [104]
Species: 4932
Condition: NDI1
Replicates: 2
Raw OD Value: r im 0.6829±0.00756604
Normalized OD Score: sc h 0.9744±0.00383586
Z-Score: -1.1864±0.176899
p-Value: 0.23913
Z-Factor: -3.62068
Fitness Defect: 1.4307
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.50 Celcius
Date:2008-03-13 YYYY-MM-DD
Plate CH Control (+):0.039900000000000005±0.00091
Plate DMSO Control (-):0.6954250000000001±0.01862
Plate Z-Factor:0.9082
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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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