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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 451 452 453 454 455 456 457 458 459 460  Next >> [589]
Species: 4932
Condition: RGP1
Replicates: 2
Raw OD Value: r im 0.4645±0.0168291
Normalized OD Score: sc h 1.0394±0.0260498
Z-Score: 1.0273±0.698419
p-Value: 0.36098
Z-Factor: -4.09161
Fitness Defect: 1.0189
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2008-06-26 YYYY-MM-DD
Plate CH Control (+):0.039775±0.00066
Plate DMSO Control (-):0.42974999999999997±0.01289
Plate Z-Factor:0.8857
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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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