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Compound InformationSONAR Target prediction
Name:

Unique Identifier:1187-0475
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19H17N3O4
Molecular Weight:334.221 g/mol
X log p:14.371  (online calculus)
Lipinksi Failures1
TPSA52.41
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:3
Canonical Smiles:COc1ccc(c(O)c1)c1nc(N)ncc1c1ccc2OCCOc2c1

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3 Next >> 
Species: 4932
Condition: rpl9-2nd
Replicates: 2
Raw OD Value: r im 0.6338±0.0033234
Normalized OD Score: sc h 0.9704±0.001708
Z-Score: -0.9289±0.0120097
p-Value: 0.352962
Z-Factor: -1.8964
Fitness Defect: 1.0414
Bioactivity Statement: Nonactive
Experimental Conditions
Library:ChemDiv-Kinase
Plate Number and Position:2|H8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-08-16 YYYY-MM-DD
Plate CH Control (+):0.04355±0.00226
Plate DMSO Control (-):0.586975±0.01587
Plate Z-Factor:0.9058
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 7962 | Additional Members: 5 | Rows returned: 1
2188-2621 0.569620253164557

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