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Compound InformationSONAR Target prediction
Name:

BENFLUOREX HYDROCHLORIDE

Unique Identifier:SPE01500669
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:366.657 g/mol
X log p:19.715  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:9
Canonical Smiles:Cl.CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c1ccccc1
Source:synthetic
Therapeutics:antihyperlipoproteinemic

Found: 602 nonactive | as graph: single | with analogs [1] << Back 301 302 303 304 305 306 307 308 309 310  Next >> [602]
Species: 4932
Condition: SPE01800170
Replicates: 2
Raw OD Value: r im 0.4150±0.0144957
Normalized OD Score: sc h 0.8738±0.0093844
Z-Score: -3.4683±0.491061
p-Value: 0.000968846
Z-Factor: -6.14909
Fitness Defect: 6.9394
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|A10
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:20.90 Celcius
Date:2006-12-12 YYYY-MM-DD
Plate CH Control (+):0.039999999999999994±0.00166
Plate DMSO Control (-):0.473±0.07151
Plate Z-Factor:0.7020
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DBLink | Rows returned: 6
2318 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl benzoate
198015 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl benzoate hydrochloride
6604374 2-[[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]ethyl benzoate
6999034 2-benzoyloxyethyl-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
6999035 2-benzoyloxyethyl-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
6999036 2-[[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]ethyl benzoate

internal high similarity DBLink | Rows returned: 0

active | Cluster 7361 | Additional Members: 9 | Rows returned: 0
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