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Compound InformationSONAR Target prediction
Name:

FUMARPROTOCETRARIC ACID

Unique Identifier:SPE00200054
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:456.228 g/mol
X log p:7.343  (online calculus)
Lipinksi Failures2
TPSA113.04
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:12
Rotatable Bond Count:7
Canonical Smiles:Cc1cc(O)c(C=O)c2Oc3c(C)c(C(O)=O)c(O)c(COC(=O)C=CC(O)=O)c3OC(=O)c12
Class:depsidone
Source:Cetraria islandica
Reference:Chem Ber 67: 411, 766 (1934)

Found: 30 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [30]
Species: 4932
Condition: SPE00305025
Replicates: 2
Raw OD Value: r im 0.3715±0
Normalized OD Score: sc h 1.1886±0
Z-Score: 4.1036±0
p-Value: 0.000040677
Z-Factor: 0.48952
Fitness Defect: 10.1098
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|B7
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.04±0.00200
Plate DMSO Control (-):0.31255±0.01038
Plate Z-Factor:0.8624
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DBLink | Rows returned: 2
5317419
5358397

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 16309 | Additional Members: 2 | Rows returned: 1
SPE00200489 0.55

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