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Compound InformationSONAR Target prediction
Name:

Unique Identifier:K679-0068
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H18N4O2
Molecular Weight:304.218 g/mol
X log p:13.919  (online calculus)
Lipinksi Failures1
TPSA62.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:5
Canonical Smiles:CCN1C=C(C(=O)NCc2cccnc2)C(=O)c2ccc(C)nc12

Found: 3 nonactive as graph: single | with analogs 2 3 Next >> 
Species: 4932
Condition: gpr1-2nd
Replicates: 2
Raw OD Value: r im 0.8232±0.0176777
Normalized OD Score: sc h 1.0065±0.0303926
Z-Score: 0.0994±0.755803
p-Value: 0.594864
Z-Factor: -10.6384
Fitness Defect: 0.5194
Bioactivity Statement: Nonactive
Experimental Conditions
Library:ChemDiv-Kinase
Plate Number and Position:12|H11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-08-16 YYYY-MM-DD
Plate CH Control (+):0.045325000000000004±0.00270
Plate DMSO Control (-):0.815125±0.04363
Plate Z-Factor:0.9009
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DBLink | Rows returned: 1
859255 1-ethyl-7-methyl-4-oxo-N-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxamide

internal high similarity DBLink | Rows returned: 0

active | Cluster 13339 | Additional Members: 8 | Rows returned: 3
LAT003C10 0.379310344827586
LOPAC 01087 0.285714285714286
SPE01500756 0

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