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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 371 372 373 374 375 376 377 378 379 380  Next >> [602]
Species: 4932
Condition: SPE01501116
Replicates: 2
Raw OD Value: r im 0.6235±0.0118087
Normalized OD Score: sc h 0.9732±0.00511775
Z-Score: -0.7262±0.275506
p-Value: 0.476116
Z-Factor: -5.03199
Fitness Defect: 0.7421
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|A10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.10 Celcius
Date:2006-11-22 YYYY-MM-DD
Plate CH Control (+):0.0401±0.00288
Plate DMSO Control (-):0.675225±0.19890
Plate Z-Factor:0.3651
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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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