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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 1 2 3 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.4819±0.0299813
Normalized OD Score: sc h 0.7667±0.0366731
Z-Score: -6.4169±0.545971
p-Value: 0.000000000820516
Z-Factor: 0.229542
Fitness Defect: 20.9211
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:3|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.039675±0.00190
Plate DMSO Control (-):0.63455±0.01440
Plate Z-Factor:0.9167
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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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