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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 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: HOC1
Replicates: 2
Raw OD Value: r im 0.5931±0.0216375
Normalized OD Score: sc h 1.0066±0.00548853
Z-Score: 0.2926±0.225725
p-Value: 0.772632
Z-Factor: -11.0837
Fitness Defect: 0.258
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|C2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2005-11-24 YYYY-MM-DD
Plate CH Control (+):0.0411±0.00218
Plate DMSO Control (-):0.58045±0.01014
Plate Z-Factor:0.9244
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DBLink | Rows returned: 11<< Back 1 2
3061512 N-methyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine hydrochloride
3061513 N-methyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine
6603938 (3S)-3-(2-methoxyphenoxy)-N-methyl-3-phenyl-propan-1-amine
6961309 dimethyl-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]azanium
6961310 dimethyl-[(3R)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]azanium

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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