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Compound InformationSONAR Target prediction
Name:

Nisoxetine hydrochloride

Unique Identifier:Prest266
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

Found: 1 nonactive | as graph: single | with analogs
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 11158.0000±0
Normalized OD Score: sc h 0.9274±0
Z-Score: -2.0199±0
p-Value: 0.0433882
Z-Factor: -3.85601
Fitness Defect: 3.1376
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:12|C11
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):22056±7270.79638
Plate DMSO Control (-):12341.5±7132.64330
Plate Z-Factor:-6.0351
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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: 2
Prest798 0
SPE01504173 0

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