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Compound InformationSONAR Target prediction
Name:

Norcantharidin

Unique Identifier:LOPAC 01099
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C8H8O4
Molecular Weight:160.083 g/mol
X log p:-0.299  (online calculus)
Lipinksi Failures0
TPSA52.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:O=C1OC(=O)C2C3CCC(O3)C21
Class:Phosphorylation
Action:Inhibitor
Selectivity:PP2A

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: MRC1
Replicates: 2
Raw OD Value: r im 0.8271±0.00190919
Normalized OD Score: sc h 1.0024±0.00415284
Z-Score: 0.1603±0.286849
p-Value: 0.84129
Z-Factor: -23.6516
Fitness Defect: 0.1728
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:11|C11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2005-12-06 YYYY-MM-DD
Plate CH Control (+):0.18389999999999998±0.19700
Plate DMSO Control (-):0.807075±0.01215
Plate Z-Factor:0.9413
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DBLink | Rows returned: 231 2 3 4 Next >> 
2545
5944
93004
198705
198727
238942

internal high similarity DBLink | Rows returned: 3
LOPAC 00793 1.0000
SPE01500814 1.0000
SPE01504153 1.0000

nonactive | Cluster 564 | Additional Members: 4 | Rows returned: 3
LAT002D10 0
SPE01504153 0
LAT004A04 0

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