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Compound InformationSONAR Target prediction
Name:

CLENBUTEROL HYDROCHLORIDE

Unique Identifier:SPE01503917
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:294.499 g/mol
X log p:4.219  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:Cl.CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
Source:synthetic; NAB-365
Therapeutics:bronchodilator, beta2 adrenergic agonist

Found: 192 nonactive as graph: single | with analogs [1] << Back 191 192
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.5092±0.0105359
Normalized OD Score: sc h 1.0234±0.0109272
Z-Score: 0.4780±0.0440189
p-Value: 0.63282
Z-Factor: -2.63355
Fitness Defect: 0.4576
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:22|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.040749999999999995±0.00089
Plate DMSO Control (-):0.502925±0.01605
Plate Z-Factor:0.8867
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DBLink | Rows returned: 102 Next >> 
2783 1-(4-amino-3,5-dichloro-phenyl)-2-(tert-butylamino)ethanol
30849 [2-(4-amino-3,5-dichloro-phenyl)-2-hydroxy-ethyl]-tert-butyl-azanium chloride
217246 1-(4-amino-3,5-dichloro-phenyl)-2-(propan-2-ylamino)ethanol
688427 (1R)-1-(4-amino-3,5-dichloro-phenyl)-2-(tert-butylamino)ethanol
688428 (1S)-1-(4-amino-3,5-dichloro-phenyl)-2-(tert-butylamino)ethanol
5231296 [2-(4-amino-3,5-dichloro-phenyl)-2-hydroxy-ethyl]-tert-butyl-azanium

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 17428 | Additional Members: 9 | Rows returned: 72 Next >> 
Prest761 0.476190476190476
LOPAC 01034 0.41025641025641
SPE01500390 0.41025641025641
Prest845 0.41025641025641
Prest598 0
SPE01500558 0

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