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Compound InformationSONAR Target prediction
Name:

PIMPINELLIN

Unique Identifier:SPE00300013
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:COc1c(OC)c2C=CC(=O)Oc2c2ccoc12
Class:coumarin
Source:Heracleum maximum root; mp 118-119 C
Reference:Monatsh 59: 161 (1932); J Org Chem 35: 2294 (1970)
Therapeutics:GABA receptor antagonist, phototoxin

Found: 17 active | as graph: single | with analogs << Back 11 12 13 14 15 16 17 Next >> 
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.3978±0.0154856
Normalized OD Score: sc h 0.8318±0.0236286
Z-Score: -4.9427±0.616204
p-Value: 0.000003325
Z-Factor: -0.0833935
Fitness Defect: 12.614
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|B5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2008-02-05 YYYY-MM-DD
Plate CH Control (+):0.0417±0.00216
Plate DMSO Control (-):0.46287500000000004±0.01623
Plate Z-Factor:0.8860
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DBLink | Rows returned: 1
4825

internal high similarity DBLink | Rows returned: 2
SPE00300005 0.9179
SPE00300012 0.9640

active | Cluster 15649 | Additional Members: 2 | Rows returned: 1
SPE00300032 0

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