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Compound InformationSONAR Target prediction
Name:

Clenbuterol hydrochloride

Unique Identifier:Prest761
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C12Cl3H19N2O
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

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 18085.0000±0
Normalized OD Score: sc h 0.9847±0
Z-Score: -0.4264±0
p-Value: 0.66983
Z-Factor: -13.5768
Fitness Defect: 0.4007
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:5|C6
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.80 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):18290±2002.70234
Plate DMSO Control (-):18264.5±1013.26960
Plate Z-Factor:-63.2184
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DBLink | Rows returned: 101 2 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

active | Cluster 17428 | Additional Members: 9 | Rows returned: 0
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