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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 Next >> 
Species: 4932
Condition: pdr22h
Replicates: 2
Raw OD Value: r im 0.5834±0
Normalized OD Score: sc h 0.8697±0.0231855
Z-Score: -4.9984±0.19898
p-Value: 0.000000731858
Z-Factor: -0.00511064
Fitness Defect: 14.1277
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:3|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.040175±0.00260
Plate DMSO Control (-):0.652475±0.01329
Plate Z-Factor:0.9465
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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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