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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 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: MT2481-pdr1pdr3
Replicates: 2
Raw OD Value: r im 0.6984±0.00784888
Normalized OD Score: sc h 1.0064±0.0070966
Z-Score: 0.3743±0.424376
p-Value: 0.720466
Z-Factor: -7.20777
Fitness Defect: 0.3279
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:4|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.048424999999999996±0.00114
Plate DMSO Control (-):0.667875±0.01195
Plate Z-Factor:0.9299
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DBLink | Rows returned: 0

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

nonactive | Cluster 157 | Additional Members: 6 | Rows returned: 4
LOPAC 00734 0.538461538461538
LOPAC 00087 0.463414634146341
LOPAC 00122 0.45
SPE01500198 0

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