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Compound InformationSONAR Target prediction
Name:

PRACTOLOL

Unique Identifier:SPE01503632
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14H22N2O3
Molecular Weight:244.161 g/mol
X log p:7.795  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:8
Canonical Smiles:CC(C)NCC(O)COc1ccc(NC(C)=O)cc1
Therapeutics:beta adrenergic agonist

Found: 114 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [114]
Species: 4932
Condition: BRE1
Replicates: 2
Raw OD Value: r im 0.7058±0.0108894
Normalized OD Score: sc h 1.0094±0.000446035
Z-Score: 0.3818±0.0211962
p-Value: 0.702658
Z-Factor: -2.53164
Fitness Defect: 0.3529
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|E3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.70 Celcius
Date:2006-03-16 YYYY-MM-DD
Plate CH Control (+):0.040225±0.00428
Plate DMSO Control (-):0.690775±0.01022
Plate Z-Factor:0.9408
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DBLink | Rows returned: 171 2 3 Next >> 
4883 N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
443371 N-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
450801 N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
3083993 N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide hydrochloride
3262533 N-[4-(3-diethylamino-2-hydroxy-propoxy)phenyl]acetamide
5120326 N-[4-[2-hydroxy-3-(tert-butylamino)propoxy]phenyl]acetamide

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 7246 | Additional Members: 18 | Rows returned: 141 2 3 Next >> 
LOPAC 00725 0.416666666666667
Prest779 0.416666666666667
SPE01505704 0.406779661016949
Prest1084 0.406779661016949
Prest742 0.358490566037736
Prest1009 0.333333333333333

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