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Compound InformationSONAR Target prediction
Name:

PD 98,059

Unique Identifier:LOPAC 01174
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H13NO3
Molecular Weight:254.176 g/mol
X log p:16.42  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:COc1cccc(c1N)C1Oc2ccccc2C(=O)C=1
Class:Phosphorylation
Action:Inhibitor
Selectivity:MEK2

Found: 22 nonactive | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [22]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.6838±0.046408
Normalized OD Score: sc h 0.9165±0.0112359
Z-Score: -3.0413±0.822041
p-Value: 0.00277064
Z-Factor: -1.02898
Fitness Defect: 5.8887
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:13|G9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.80 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.04800625000000002±0.00227
Plate DMSO Control (-):0.7375000000000003±0.02694
Plate Z-Factor:0.9214
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DBLink | Rows returned: 1
4713 2-(2-amino-3-methoxy-phenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 0

active | Cluster 12019 | Additional Members: 25 | Rows returned: 72 Next >> 
SPE01504132 0.480769230769231
SPE01505139 0.42
LAT006E05 0.403846153846154
BTB 13702 0.347826086956522
SPE01500735 0.326530612244898
SPE01500741 0.295454545454545

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