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Compound InformationSONAR Target prediction
Name:

Unique Identifier:4569-1457
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H21N3O4
Molecular Weight:358.243 g/mol
X log p:13.61  (online calculus)
Lipinksi Failures1
TPSA72.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:9
Canonical Smiles:CCCCC(=O)c1ccccc1C(=O)c1ccc2nc(NC(=O)OC)nc2c1

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 4932
Condition: tep1-2nd
Replicates: 2
Raw OD Value: r im 0.8045±0.0526087
Normalized OD Score: sc h 1.0297±0.0700403
Z-Score: 0.6418±1.5847
p-Value: 0.355058
Z-Factor: -7.96951
Fitness Defect: 1.0355
Bioactivity Statement: Nonactive
Experimental Conditions
Library:ChemDiv-Kinase
Plate Number and Position:8|D11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-08-16 YYYY-MM-DD
Plate CH Control (+):0.043475±0.00228
Plate DMSO Control (-):0.7730249999999999±0.03094
Plate Z-Factor:0.8684
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 3124 | Additional Members: 12 | Rows returned: 5
Prest1273 0.491803278688525
LOPAC 01029 0.370967741935484
LAT002F08 0
SPE01501110 0
Prest310 0

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