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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 21 22 23 24 Next >> [24]
Species: 4932
Condition: WHI3
Replicates: 2
Raw OD Value: r im 0.6966±0.0144957
Normalized OD Score: sc h 1.0109±0.0104181
Z-Score: 0.4796±0.519679
p-Value: 0.65386
Z-Factor: -6.24658
Fitness Defect: 0.4249
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|C2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.046225±0.00247
Plate DMSO Control (-):0.6677±0.05947
Plate Z-Factor:0.9006
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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

active | Cluster 2272 | Additional Members: 9 | Rows returned: 3
Prest266 0.517857142857143
Prest798 0
SPE01504173 0

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