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Compound InformationSONAR Target prediction
Name:

GAMBOGINIC ACID, METHYL ESTER

Unique Identifier:SPE00200031
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C39ClH47O8
Molecular Weight:631.865 g/mol
X log p:3.614  (online calculus)
Lipinksi Failures0
TPSA88.13
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:7
Canonical Smiles:COC(=O)C(C)=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)c6C7CC(C)(CCC7=C(C)C)Oc6c
(CCC(C)(C)Cl)c5OC341)C2=O
Source:derivative
Reference:Tetrahedron 21: 1453 (1965)

Found: 1 active | as graph: single | with analogs
Species: 4932
Condition: CDC73
Replicates: 2
Raw OD Value: r im 0.3430±0.0118087
Normalized OD Score: sc h 0.8343±0.00929386
Z-Score: -4.1858±0.453732
p-Value: 0.0000588554
Z-Factor: -1.58722
Fitness Defect: 9.7404
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|E4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2007-09-19 YYYY-MM-DD
Plate CH Control (+):0.040175±0.00081
Plate DMSO Control (-):0.4094±0.04585
Plate Z-Factor:0.6106
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DBLink | Rows returned: 1
4659860

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 6558 | Additional Members: 3 | Rows returned: 2
SPE00300549 0.192307692307692
SPE10100009 0

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