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Compound InformationSONAR Target prediction
Name:

Parthenolide

Unique Identifier:LOPAC 01123
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H20O3
Molecular Weight:230.175 g/mol
X log p:1.683  (online calculus)
Lipinksi Failures0
TPSA38.83
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:0
Canonical Smiles:CC1CCC2C(OC(=O)C2=C)C2OC2(C)CCC=1
Class:Serotonin
Action:Inhibitor

Found: 3 active | as graph: single | with analogs 1 2 3 Next >> 
Species: 4932
Condition: GAS1
Replicates: 2
Raw OD Value: r im 0.5301±0.128411
Normalized OD Score: sc h 0.7660±0.179452
Z-Score: -11.2183±8.59822
p-Value: 0.000000138512
Z-Factor: -1.71444
Fitness Defect: 15.7923
Bioactivity Statement: Active
Experimental Conditions
Library:Lopac
Plate Number and Position:12|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.30 Celcius
Date:2005-11-17 YYYY-MM-DD
Plate CH Control (+):0.04202499999999999±0.00202
Plate DMSO Control (-):0.67165±0.03266
Plate Z-Factor:0.8559
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DBLink | Rows returned: 16<< Back 1 2 3 Next >> 
5420805
5420807
5702252
6420037
6473881
6603964

internal high similarity DBLink | Rows returned: 1
SPE01503640 1.0000

active | Cluster 2298 | Additional Members: 5 | Rows returned: 2
SPE01503640 0
LAT003F02 0

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