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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: 589 nonactive | as graph: single | with analogs [1] << Back 471 472 473 474 475 476 477 478 479 480  Next >> [589]
Species: 4932
Condition: SWR1
Replicates: 2
Raw OD Value: r im 0.5824±0.0359917
Normalized OD Score: sc h 0.8908±0.0521904
Z-Score: -4.4720±2.10949
p-Value: 0.00143945
Z-Factor: -2.08001
Fitness Defect: 6.5435
Bioactivity Statement: Outlier
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2008-01-31 YYYY-MM-DD
Plate CH Control (+):0.040825±0.00068
Plate DMSO Control (-):0.6134±0.02677
Plate Z-Factor:0.8397
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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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