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Compound InformationSONAR Target prediction
Name:

Clonidine hydrochloride

Unique Identifier:LOPAC 00086
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C9Cl3H10N3
Molecular Weight:256.475 g/mol
X log p:7.348  (online calculus)
Lipinksi Failures1
TPSA12.36
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:1
Canonical Smiles:Cl.Clc1cccc(Cl)c1N=C1NCCN1
Class:Adrenoceptor
Action:Agonist
Selectivity:alpha2

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: GIM3
Replicates: 4
Raw OD Value: r im 0.5731±0.0480128
Normalized OD Score: sc h 0.9995±0.0458875
Z-Score: 0.0836±1.08993
p-Value: 0.724902
Z-Factor: -5.25379
Fitness Defect: 0.3217
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:4|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.50 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.0456±0.00310
Plate DMSO Control (-):0.6872750000000001±0.18870
Plate Z-Factor:-0.0980
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 2
LOPAC 00087 0.9322
SPE01500198 1.0000

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