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Compound InformationSONAR Target prediction
Name:

FENDILINE HYDROCHLORIDE

Unique Identifier:SPE01501026
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Source:synthetic
Therapeutics:coronary vasodilator

Found: 82 active | as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [82]
Species: 4932
Condition: SPE01500104
Replicates: 2
Raw OD Value: r im 0.4080±0.0199404
Normalized OD Score: sc h 0.7786±0.0666834
Z-Score: -4.7377±0.761657
p-Value: 0.0000134649
Z-Factor: -0.434654
Fitness Defect: 11.2154
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|C7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2006-12-22 YYYY-MM-DD
Plate CH Control (+):0.039425±0.00284
Plate DMSO Control (-):0.5572999999999999±0.02435
Plate Z-Factor:0.8306
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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
Prest568 0

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