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Compound InformationSONAR Target prediction
Name:

GAMBOGIC ACID AMIDE

Unique Identifier:SPE00201522
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C38H45NO7
Molecular Weight:582.409 g/mol
X log p:10.586  (online calculus)
Lipinksi Failures1
TPSA78.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:8
Canonical Smiles:CC(C)=CCCC1(C)Oc2c(CC=C(C)C)c3OC45C6CC(C=C4C(=O)c3c(O)c2C=C1)C(=O)C5(C
C=C(C)C(N)=O)OC6(C)C
Source:derivative of Gambogic acid
Reference:Tetrahedron 21: 1453 (1965)

Found: 104 nonactive | as graph: single | with analogs [1] << Back 91 92 93 94 95 96 97 98 99 100  Next >> [104]
Species: 4932
Condition: MDH1
Replicates: 2
Raw OD Value: r im 0.7715±0.0415072
Normalized OD Score: sc h 0.9901±0.00558733
Z-Score: -0.5509±0.255331
p-Value: 0.587784
Z-Factor: -27.6467
Fitness Defect: 0.5314
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|E10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2007-08-07 YYYY-MM-DD
Plate CH Control (+):0.039675±0.00047
Plate DMSO Control (-):0.762275±0.10782
Plate Z-Factor:0.5394
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DBLink | Rows returned: 1
6710783

internal high similarity DBLink | Rows returned: 4
SPE00201524 0.9064
SPE10100009 0.9343
SPE00201539 0.9436
SPE00200007 0.9660

active | Cluster 84 | Additional Members: 8 | Rows returned: 6
SPE00201538 0.612403100775194
SPE00201540 0.410714285714286
SPE00201524 0.339449541284404
SPE00201539 0.333333333333333
SPE00210746 0.26605504587156
SPE00200007 0

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