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Compound InformationSONAR Target prediction
Name:

Unique Identifier:K788-6942
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:BrC24H17N4O2
Molecular Weight:456.187 g/mol
X log p:26.829  (online calculus)
Lipinksi Failures1
TPSA65.34
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:3
Canonical Smiles:Brc1ccc2N(CC3=CC(=O)N4C=CC=CC4=N3)C(=O)CN=C(c3ccccc3)c2c1

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 4932
Condition: tep1-2nd
Replicates: 2
Raw OD Value: r im 0.8406±0.0253144
Normalized OD Score: sc h 1.0020±0.020137
Z-Score: 0.0592±0.470053
p-Value: 0.740044
Z-Factor: -21.7906
Fitness Defect: 0.301
Bioactivity Statement: Nonactive
Experimental Conditions
Library:ChemDiv-Kinase
Plate Number and Position:13|E3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-08-16 YYYY-MM-DD
Plate CH Control (+):0.04425±0.00190
Plate DMSO Control (-):0.7984±0.02460
Plate Z-Factor:0.9051
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DBLink | Rows returned: 1
3645286 9-bromo-2-[(10-oxo-1,7-diazabicyclo[4.4.0]deca-2,4,6,8-tetraen-8-yl)methyl]-6-phenyl-2,5-diazabicyclo[5.
4.0]undeca-5,8,10,12-tetraen-3-one

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 12033 | Additional Members: 4 | Rows returned: 1
SPE01900003 0.290909090909091

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