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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 551 552 553 554 555 556 557 558 559 560  Next >> [602]
Species: 4932
Condition: PAC10
Replicates: 2
Raw OD Value: r im 0.6748±0.0292742
Normalized OD Score: sc h 0.9206±0.00807622
Z-Score: -2.1440±0.141871
p-Value: 0.0328966
Z-Factor: -0.0136566
Fitness Defect: 3.4144
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|D2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2006-03-14 YYYY-MM-DD
Plate CH Control (+):0.038525000000000004±0.00133
Plate DMSO Control (-):0.724775±0.01323
Plate Z-Factor:0.9497
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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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