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Compound InformationSONAR Target prediction
Name:

Parthenolide

Unique Identifier:Prest876
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H20O3
Molecular Weight:231.183 g/mol
X log p:1.508  (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 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 2108.0000±0
Normalized OD Score: sc h 1.0180±0
Z-Score: 0.4063±0
p-Value: 0.684554
Z-Factor: -5.46025
Fitness Defect: 0.379
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:7|G11
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.10 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):951.5±923.27222
Plate DMSO Control (-):2006±543.99595
Plate Z-Factor:-4.4324
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DBLink | Rows returned: 16<< Back 1 2 3
6708471
6746983
7251185
16057519

internal high similarity DBLink | Rows returned: 0

active | Cluster 2298 | Additional Members: 5 | Rows returned: 3
SPE01503640 0
LOPAC 01123 0
LAT003F02 0

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