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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: 21 active | as graph: single | with analogs << Back 11 12 13 14 15 16 17 18 19 20  Next >> 
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.4103±0.00282843
Normalized OD Score: sc h 0.7848±0.00347672
Z-Score: -6.0221±0.0888027
p-Value: 0.00000000184941
Z-Factor: 0.407316
Fitness Defect: 20.1084
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:3|F7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.040925±0.00049
Plate DMSO Control (-):0.5082±0.01946
Plate Z-Factor:0.8469
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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

nonactive | Cluster 7361 | Additional Members: 9 | Rows returned: 1
Prest911 0.528571428571429

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