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Compound InformationSONAR Target prediction
Name:

Chloroethylclonidine dihydrochloride

Unique Identifier:LOPAC 00734
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C13Cl5H19N4
Molecular Weight:389.43 g/mol
X log p:5.996  (online calculus)
Lipinksi Failures1
TPSA15.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:5
Canonical Smiles:Cl.Cl.CN(CCCl)Cc1cc(Cl)c(N=C2NCCN2)c(Cl)c1
Class:Adrenoceptor
Action:Antagonist
Selectivity:alpha1B

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.7089±0.0325976
Normalized OD Score: sc h 1.0367±0.00412492
Z-Score: 1.0007±0.0330769
p-Value: 0.317096
Z-Factor: -1.44925
Fitness Defect: 1.1486
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:3|D6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2005-11-15 YYYY-MM-DD
Plate CH Control (+):0.03875±0.00131
Plate DMSO Control (-):0.6553249999999999±0.01905
Plate Z-Factor:0.9126
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 157 | Additional Members: 6 | Rows returned: 4
LOPAC 00087 0.463414634146341
LOPAC 00122 0.45
SPE01500198 0
LOPAC 00086 0

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