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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 61 62 63 64 65 66 67 68 69 70  Next >> [82]
Species: 4932
Condition: DOA4
Replicates: 2
Raw OD Value: r im 0.3633±0.00721249
Normalized OD Score: sc h 0.5699±0.0121258
Z-Score: -17.0652±0.0402494
p-Value: 0
Z-Factor: 0.778076
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:22|B4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2008-05-02 YYYY-MM-DD
Plate CH Control (+):0.040374999999999994±0.00035
Plate DMSO Control (-):0.6088±0.01222
Plate Z-Factor:0.9336
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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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