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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 << Back 1 2 3
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.5329±0.02885
Normalized OD Score: sc h 0.8220±0.014963
Z-Score: -4.8619±0.0220294
p-Value: 0.00000116626
Z-Factor: 0.246153
Fitness Defect: 13.6617
Bioactivity Statement: Active
Experimental Conditions
Library:Lopac
Plate Number and Position:12|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2005-11-15 YYYY-MM-DD
Plate CH Control (+):0.039900000000000005±0.00217
Plate DMSO Control (-):0.6669±0.01835
Plate Z-Factor:0.9014
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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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