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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 Next >> [24]
Species: 4932
Condition: TEP1
Replicates: 2
Raw OD Value: r im 0.6471±0.0663973
Normalized OD Score: sc h 1.0897±0.0992451
Z-Score: 3.2658±3.38481
p-Value: 0.191496
Z-Factor: -2.84258
Fitness Defect: 1.6529
Bioactivity Statement: Outlier
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:2005-05-17 YYYY-MM-DD
Plate CH Control (+):0.045975±0.00330
Plate DMSO Control (-):0.57445±0.01225
Plate Z-Factor:0.9183
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DBLink | Rows returned: 1
3802

internal high similarity DBLink | Rows returned: 0

active | Cluster 6723 | Additional Members: 4 | Rows returned: 1
SPE01500685 0

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