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Compound InformationSONAR Target prediction
Name:

Clozapine

Unique Identifier:LOPAC 00254
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18ClH19N4
Molecular Weight:307.672 g/mol
X log p:15.894  (online calculus)
Lipinksi Failures1
TPSA18.84
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:1
Canonical Smiles:CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc21
Class:Dopamine
Action:Antagonist
Selectivity:D4 > D2,D3

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 0.5697±0.116319
Normalized OD Score: sc h 0.8762±0.169952
Z-Score: -4.0517±5.58855
p-Value: 0.46016
Z-Factor: -88.0051
Fitness Defect: 0.7762
Bioactivity Statement: Outlier
Experimental Conditions
Library:Lopac
Plate Number and Position:4|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.046825±0.00096
Plate DMSO Control (-):0.7020500000000001±0.15227
Plate Z-Factor:0.3359
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
SPE01500685 1.0000

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

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