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Compound InformationSONAR Target prediction
Name:

S(+)-Isoproterenol (+)-bitartrate

Unique Identifier:LOPAC 00115
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H23NO9
Molecular Weight:339.17 g/mol
X log p:6.006  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:CC(C)NCC(O)c1ccc(O)c(O)c1.OC(C(O)C(O)=O)C(O)=O
Class:Adrenoceptor
Selectivity:beta

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: CIN2
Replicates: 2
Raw OD Value: r im 0.8197±0.0053033
Normalized OD Score: sc h 1.0004±0.00230215
Z-Score: 0.0360±0.177987
p-Value: 0.89991
Z-Factor: -17.9133
Fitness Defect: 0.1055
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:9|B4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.00 Celcius
Date:2005-12-07 YYYY-MM-DD
Plate CH Control (+):0.039025000000000004±0.00131
Plate DMSO Control (-):0.805025±0.00941
Plate Z-Factor:0.9607
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DBLink | Rows returned: 5
26792 2,3-dihydroxybutanedioic acid; 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
160420 (2R,3R)-2,3-dihydroxybutanedioic acid; 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
2724018 (2R,3R)-2,3-dihydroxybutanedioic acid; 4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
6604115 (2R,3S)-2,3-dihydroxybutanedioic acid; 4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
6852409 2,3-dihydroxybutanedioic acid; 4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol

internal high similarity DBLink | Rows returned: 3
LOPAC 00114 0.9459
SPE01500274 0.9481
LOPAC 00113 1.0000

active | Cluster 1040 | Additional Members: 10 | Rows returned: 1
LOPAC 00113 0

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