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Compound InformationSONAR Target prediction
Name:

Nisoxetine hydrochloride

Unique Identifier:LOPAC 00132
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C17ClH22NO2
Molecular Weight:285.64 g/mol
X log p:19.496  (online calculus)
Lipinksi Failures1
TPSA18.46
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:7
Canonical Smiles:Cl.CNCCC(Oc1ccccc1OC)c1ccccc1
Class:Adrenoceptor
Action:Blocker
Selectivity:Reuptake

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: MRC1
Replicates: 2
Raw OD Value: r im 0.8268±0.011243
Normalized OD Score: sc h 1.0031±0.00200856
Z-Score: 0.2309±0.167941
p-Value: 0.818652
Z-Factor: -10.1558
Fitness Defect: 0.2001
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|C2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2005-12-06 YYYY-MM-DD
Plate CH Control (+):0.33182500000000004±0.13802
Plate DMSO Control (-):0.8097749999999999±0.01236
Plate Z-Factor:0.9373
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DBLink | Rows returned: 111 2 Next >> 
4500 3-(2-methoxyphenoxy)-N-methyl-3-phenyl-propan-1-amine
134453 3-(2-methoxyphenoxy)-N-methyl-3-phenyl-propan-1-amine hydrochloride
449738 3-(2-methoxyphenoxy)-N-methyl-3-phenyl-propan-1-amine
1049221 (3S)-N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine
1049222 (3R)-N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine
3061511 N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 2272 | Additional Members: 9 | Rows returned: 81 2 Next >> 
Prest266 0.517857142857143
LOPAC 01274 0.482142857142857
SPE01505385 0.282608695652174
Prest798 0
LOPAC 00909 0
LOPAC 00510 0

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