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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 << Back 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: LAT1
Replicates: 2
Raw OD Value: r im 0.6058±0.00947523
Normalized OD Score: sc h 0.9148±0.00276182
Z-Score: -4.1939±0.131636
p-Value: 0.0000296398
Z-Factor: 0.320755
Fitness Defect: 10.4264
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|A11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.40 Celcius
Date:2008-04-23 YYYY-MM-DD
Plate CH Control (+):0.040374999999999994±0.00045
Plate DMSO Control (-):0.660625±0.01078
Plate Z-Factor:0.9479
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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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