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Compound InformationSONAR Target prediction
Name:

Fendiline hydrochloride

Unique Identifier:Prest568
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23ClH26N
Molecular Weight:325.706 g/mol
X log p:31.653  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:7
Canonical Smiles:Cl.CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1

Found: 3 nonactive as graph: single | with analogs 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 2098.0000±0
Normalized OD Score: sc h 1.0068±0
Z-Score: 0.1524±0
p-Value: 0.878894
Z-Factor: -5.76963
Fitness Defect: 0.1291
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:4|C11
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.70 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):1024±959.34887
Plate DMSO Control (-):2047±547.49039
Plate Z-Factor:-4.6829
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DBLink | Rows returned: 5
3336 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
26154 3,3-diphenylpropyl-(1-phenylethyl)azanium chloride
657353 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine; hydrogen(+1) cation; chloride
5702162 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine hydrochloride
6604342 3,3-diphenyl-N-[(1S)-1-phenylethyl]propan-1-amine

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 3400 | Additional Members: 5 | Rows returned: 3
LOPAC 00929 0.555555555555556
Prest878 0.404761904761905
SPE01501026 0

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