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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] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [205]
Species: 4932
Condition: QCR8
Replicates: 2
Raw OD Value: r im 0.6974±0.00155563
Normalized OD Score: sc h 1.0274±0.00333801
Z-Score: 1.1327±0.13938
p-Value: 0.259642
Z-Factor: -2.39321
Fitness Defect: 1.3485
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2008-04-25 YYYY-MM-DD
Plate CH Control (+):0.039775±0.00076
Plate DMSO Control (-):0.6709±0.02115
Plate Z-Factor:0.8912
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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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