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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: 100 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [100]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7099±0.00636396
Normalized OD Score: sc h 1.0054±0.0134337
Z-Score: 0.2886±0.725447
p-Value: 0.62264
Z-Factor: -17.9883
Fitness Defect: 0.4738
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|E4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.50 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.04165±0.00070
Plate DMSO Control (-):0.691225±0.02158
Plate Z-Factor:0.8986
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DBLink | Rows returned: 1
4659860

internal high similarity DBLink | Rows returned: 0

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

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