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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: 191 nonactive | as graph: single | with analogs [1] << Back 181 182 183 184 185 186 187 188 189 190  Next >> [191]
Species: 4932
Condition: SWR1
Replicates: 2
Raw OD Value: r im 0.6766±0.0113137
Normalized OD Score: sc h 1.0239±0.00249232
Z-Score: 0.9760±0.111592
p-Value: 0.330548
Z-Factor: -2.10353
Fitness Defect: 1.107
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|C7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2008-01-31 YYYY-MM-DD
Plate CH Control (+):0.040675±0.00052
Plate DMSO Control (-):0.621775±0.01673
Plate Z-Factor:0.9215
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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

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

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