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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 461 462 463 464 465 466 467 468 469 470  Next >> [602]
Species: 4932
Condition: RSA3
Replicates: 2
Raw OD Value: r im 0.6258±0.0171827
Normalized OD Score: sc h 0.9562±0.00427157
Z-Score: -1.8807±0.190501
p-Value: 0.062334
Z-Factor: -1.94696
Fitness Defect: 2.7752
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:3|F7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.50 Celcius
Date:2008-04-01 YYYY-MM-DD
Plate CH Control (+):0.03985±0.00070
Plate DMSO Control (-):0.636825±0.02753
Plate Z-Factor:0.8501
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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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