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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: 539 nonactive | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [539]
Species: 4932
Condition: SPE00240740
Replicates: 2
Raw OD Value: r im 0.5718±0.0293449
Normalized OD Score: sc h 0.9776±0.0150567
Z-Score: -0.7773±0.461997
p-Value: 0.460954
Z-Factor: -4.74439
Fitness Defect: 0.7745
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|C7
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:22.50 Celcius
Date:2006-11-29 YYYY-MM-DD
Plate CH Control (+):0.0395±0.00237
Plate DMSO Control (-):0.5932249999999999±0.02487
Plate Z-Factor:0.8788
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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

active | Cluster 3400 | Additional Members: 5 | Rows returned: 0

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