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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] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [30]
Species: 4932
Condition: SWI4
Replicates: 2
Raw OD Value: r im 0.5146±0.0125865
Normalized OD Score: sc h 0.9057±0.022829
Z-Score: -4.2374±1.11221
p-Value: 0.00027961
Z-Factor: -0.632574
Fitness Defect: 8.1821
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2008-02-07 YYYY-MM-DD
Plate CH Control (+):0.041499999999999995±0.00061
Plate DMSO Control (-):0.554225±0.01587
Plate Z-Factor:0.8990
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DBLink | Rows returned: 2
5317419
5358397

internal high similarity DBLink | Rows returned: 0

active | Cluster 16309 | Additional Members: 2 | Rows returned: 0
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