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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 21 22 23 24 Next >> [24]
Species: 4932
Condition: WHI3
Replicates: 2
Raw OD Value: r im 0.7590±0.0812466
Normalized OD Score: sc h 0.9717±0.0432071
Z-Score: -0.8803±1.39543
p-Value: 0.488566
Z-Factor: -13.1846
Fitness Defect: 0.7163
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:3|D6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.044700000000000004±0.00134
Plate DMSO Control (-):0.709125±0.03598
Plate Z-Factor:0.8247
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 157 | Additional Members: 6 | Rows returned: 0
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