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Compound InformationSONAR Target prediction
Name:

ACETYL ISOGAMBOGIC ACID

Unique Identifier:SPE00300549
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C40H46O9
Molecular Weight:624.423 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC(C)=CCCC1(C)Oc2c(CC=C(C)C)c3OC45C6CC(C=C4C(=O)c3c(OC(C)=O)c2C=C1)C(=
O)C5(CC=C(C)C(O)=O)OC6(C)C
Class:xanthone
Source:derivative
Reference:J Chem Soc 1966:772; Magn Reson Chem 31: 340 (1993)

Found: 9 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 Next >> 
Species: 4932
Condition: LAT1
Replicates: 2
Raw OD Value: r im 0.5319±0.0405172
Normalized OD Score: sc h 0.7970±0.064668
Z-Score: -9.8999±2.54601
p-Value: 2.75664e-16
Z-Factor: -0.388187
Fitness Defect: 35.8273
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|B3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.40 Celcius
Date:2008-04-23 YYYY-MM-DD
Plate CH Control (+):0.039925±0.00038
Plate DMSO Control (-):0.6471750000000001±0.01884
Plate Z-Factor:0.9075
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 6558 | Additional Members: 3 | Rows returned: 2
SPE00200031 0.464566929133858
SPE10100009 0

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