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Compound InformationSONAR Target prediction
Name:

CARVEDILOL

Unique Identifier:SPE01504257
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:380.268 g/mol
X log p:23.502  (online calculus)
Lipinksi Failures1
TPSA27.69
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:10
Canonical Smiles:COc1ccccc1OCCNCC(O)COc1cccc2nc3ccccc3c21
Source:synthetic
Therapeutics:betaadrenergic blocker

Found: 205 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7407±0.000282843
Normalized OD Score: sc h 1.0088±0.00549928
Z-Score: 0.4622±0.282149
p-Value: 0.65046
Z-Factor: -6.64047
Fitness Defect: 0.4301
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.0402±0.00073
Plate DMSO Control (-):0.7159±0.01647
Plate Z-Factor:0.9139
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 4166 | Additional Members: 1 | Rows returned: 0
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