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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 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.8171±0.131967
Normalized OD Score: sc h 0.9922±0.0240573
Z-Score: -0.2945±0.692661
p-Value: 0.728654
Z-Factor: -74.8893
Fitness Defect: 0.3166
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:3|D6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.60 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.045962499999999996±0.00136
Plate DMSO Control (-):0.7777812499999999±0.02984
Plate Z-Factor:0.8704
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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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