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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 2 3 Next >> 
Species: 4932
Condition: gpr1-2nd
Replicates: 2
Raw OD Value: r im 0.8056±0.016617
Normalized OD Score: sc h 0.9464±0.00583214
Z-Score: -1.3974±0.390583
p-Value: 0.178193
Z-Factor: -1.35168
Fitness Defect: 1.7249
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 (+):0.043875±0.00266
Plate DMSO Control (-):0.848125±0.02925
Plate Z-Factor:0.9014
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 3124 | Additional Members: 12 | Rows returned: 8<< Back 1 2
SPE01501110 0
Prest310 0

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