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Compound InformationSONAR Target prediction
Name:

JL-18

Unique Identifier:LOPAC 00288
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H21N5
Molecular Weight:286.226 g/mol
X log p:12.806  (online calculus)
Lipinksi Failures1
TPSA31.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:1
Canonical Smiles:CN1CCN(CC1)C1=Nc2cccnc2Nc2ccc(C)cc21
Class:Dopamine
Action:Antagonist
Selectivity:D4>D2

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6404±0.0294156
Normalized OD Score: sc h 0.9907±0.0124531
Z-Score: -0.3035±0.410296
p-Value: 0.771018
Z-Factor: -10.1073
Fitness Defect: 0.26
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:9|A7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.046225±0.00775
Plate DMSO Control (-):0.6777±0.06033
Plate Z-Factor:0.6382
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DBLink | Rows returned: 1
3802

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 6723 | Additional Members: 4 | Rows returned: 3
LOPAC 00254 0
SPE01500685 0
Prest693 0

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