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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 441 442 443 444 445 446 447 448 449 450  Next >> [589]
Species: 4932
Condition: MT2481-pdr1pdr3-1st
Replicates: 2
Raw OD Value: r im 0.6121±0.00275772
Normalized OD Score: sc h 0.9714±0.00843649
Z-Score: -1.3406±0.442176
p-Value: 0.201126
Z-Factor: -3.07919
Fitness Defect: 1.6038
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-01-25 YYYY-MM-DD
Plate CH Control (+):0.040150000000000005±0.00117
Plate DMSO Control (-):0.6094250000000001±0.01417
Plate Z-Factor:0.9269
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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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