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Compound InformationSONAR Target prediction
Name:

Parthenolide

Unique Identifier:LAT003F02
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H20O3
Molecular Weight:228.159 g/mol
X log p:2.151  (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

Found: 3 active | as graph: single | with analogs << Back 1 2 3
Species: 4932
Condition: wt18h
Replicates: 2
Raw OD Value: r im 0.5227±0.0450427
Normalized OD Score: sc h 0.6698±0.0503393
Z-Score: -9.2154±0.210132
p-Value: 6.51222e-20
Z-Factor: 0.357114
Fitness Defect: 44.178
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:3|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.04±0.00167
Plate DMSO Control (-):0.80105±0.01681
Plate Z-Factor:0.9253
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DBLink | Rows returned: 161 2 3 Next >> 
4692
108068
927704
5320420
5353864
5420804

internal high similarity DBLink | Rows returned: 4
BIOMOL 317 1.0000
LOPAC 01123 1.0000
Prest876 1.0000
SPE01503640 1.0000

nonactive | Cluster 2298 | Additional Members: 5 | Rows returned: 3
Prest876 0
SPE01503640 0
LOPAC 01123 0

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