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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: 21 nonactive | as graph: single | with analogs << Back 21
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6042±0.0285671
Normalized OD Score: sc h 0.9718±0.0159649
Z-Score: -0.8248±0.380009
p-Value: 0.42614
Z-Factor: -8.42969
Fitness Defect: 0.853
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.045875±0.00087
Plate DMSO Control (-):0.6643749999999999±0.09786
Plate Z-Factor:0.7360
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DBLink | Rows returned: 161 2 3 Next >> 
4692
108068
927704
5320420
5353864
5420804

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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