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Compound InformationSONAR Target prediction
Name:

DIMETHYL GAMBOGATE

Unique Identifier:SPE10100009
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:608.423 g/mol
X log p:11.296  (online calculus)
Lipinksi Failures1
TPSA97.36
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:10
Canonical Smiles:COC(=O)C(C)=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(OC341)c(CC=C(C)C)c1OC(C)(CC
C=C(C)C)C=Cc1c5OC)C2=O
Class:xanthone
Source:derivative of gambogic acid

Found: 3 active | as graph: single | with analogs 1 2 3 Next >> 
Species: 4932
Condition: MT2481-pdr1pdr3
Replicates: 2
Raw OD Value: r im 0.5168±0.0231931
Normalized OD Score: sc h 0.7310±0.0213522
Z-Score: -8.5481±0.876496
p-Value: 0.00000000000000111061
Z-Factor: 0.545567
Fitness Defect: 34.4339
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2006-05-02 YYYY-MM-DD
Plate CH Control (+):0.038375±0.00111
Plate DMSO Control (-):0.6898249999999999±0.01306
Plate Z-Factor:0.9294
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DBLink | Rows returned: 2
6710687
6857785

internal high similarity DBLink | Rows returned: 4
SPE00201524 0.9074
SPE00201522 0.9343
SPE00201539 0.9442
SPE00200007 0.9664

nonactive | Cluster 6558 | Additional Members: 3 | Rows returned: 2
SPE00200031 0.464566929133858
SPE00300549 0.192307692307692

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