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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: 193 nonactive | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [193]
Species: 4932
Condition: MT2481-pdr1pdr3-2nd
Replicates: 2
Raw OD Value: r im 0.5570±0.00551543
Normalized OD Score: sc h 0.9954±0.0000736523
Z-Score: -0.6485±0.0356696
p-Value: 0.516782
Z-Factor: -30.2794
Fitness Defect: 0.6601
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|D6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2007-09-27 YYYY-MM-DD
Plate CH Control (+):0.039675±0.00106
Plate DMSO Control (-):0.552±0.07218
Plate Z-Factor:0.5597
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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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