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Compound InformationSONAR Target prediction
Name:

Pramoxine hydrochloride

Unique Identifier:Prest1044
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C17ClH28NO3
Molecular Weight:301.64 g/mol
X log p:9.351  (online calculus)
Lipinksi Failures1
TPSA30.93
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:9
Canonical Smiles:Cl.CCCCOc1ccc(OCCCN2CCOCC2)cc1

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 2038.0000±0
Normalized OD Score: sc h 1.0200±0
Z-Score: 0.4501±0
p-Value: 0.652662
Z-Factor: -7.19961
Fitness Defect: 0.4267
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:9|H7
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):934.5±887.42587
Plate DMSO Control (-):1947.5±635.64730
Plate Z-Factor:-4.7271
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DBLink | Rows returned: 4
4886 4-[3-(4-butoxyphenoxy)propyl]morpholine
73957 4-[3-(4-butoxyphenoxy)propyl]morpholine hydrochloride
517298 4-[3-(4-butoxyphenoxy)propyl]-1-oxa-4-azoniacyclohexane chloride
657208 4-[3-(4-butoxyphenoxy)propyl]morpholine; hydrogen(+1) cation; chloride

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 17157 | Additional Members: 16 | Rows returned: 1
SPE01501139 0.490909090909091

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