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Compound InformationSONAR Target prediction
Name:

ISOPIMPINELLIN

Unique Identifier:SPE00300012
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:236.136 g/mol
X log p:9.524  (online calculus)
Lipinksi Failures1
TPSA53.99
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:COc1c2occc2c(OC)c2C=CC(=O)Oc12
Class:coumarin
Source:Hercaleum maximum; mp 150-153 C dimorphic (142-145 C)
Reference:J Chem Soc 1945: 540

Found: 16 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: ARF1
Replicates: 2
Raw OD Value: r im 0.6029±0.00685894
Normalized OD Score: sc h 0.9111±0.00116965
Z-Score: -4.3057±0.0708389
p-Value: 0.0000170538
Z-Factor: -0.346131
Fitness Defect: 10.9791
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.90 Celcius
Date:2007-10-02 YYYY-MM-DD
Plate CH Control (+):0.04115±0.00171
Plate DMSO Control (-):0.663775±0.02324
Plate Z-Factor:0.8766
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DBLink | Rows returned: 2
68079
3080647

internal high similarity DBLink | Rows returned: 2
SPE01500400 0.9209
SPE00300013 0.9640

active | Cluster 13255 | Additional Members: 5 | Rows returned: 1
SPE00300546 0

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