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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: MRC1
Replicates: 2
Raw OD Value: r im 0.6134±0.0152735
Normalized OD Score: sc h 0.9123±0.00289499
Z-Score: -4.4128±0.00240023
p-Value: 0.0000102059
Z-Factor: 0.291034
Fitness Defect: 11.4925
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.40 Celcius
Date:2008-01-15 YYYY-MM-DD
Plate CH Control (+):0.0433±0.00016
Plate DMSO Control (-):0.661925±0.01106
Plate Z-Factor:0.9341
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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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