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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: 82 nonactive | as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [82]
Species: 4932
Condition: MSO1
Replicates: 2
Raw OD Value: r im 0.7200±0.0167584
Normalized OD Score: sc h 0.9841±0.0229462
Z-Score: -0.7643±1.09989
p-Value: 0.556162
Z-Factor: -7.1288
Fitness Defect: 0.5867
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|B3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2008-02-27 YYYY-MM-DD
Plate CH Control (+):0.040575±0.00054
Plate DMSO Control (-):0.7092±0.01226
Plate Z-Factor:0.9380
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

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

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