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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 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: CHS3
Replicates: 2
Raw OD Value: r im 0.6835±0.0197283
Normalized OD Score: sc h 1.0121±0.00533824
Z-Score: 0.5518±0.235645
p-Value: 0.586286
Z-Factor: -29.5239
Fitness Defect: 0.5339
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2008-06-20 YYYY-MM-DD
Plate CH Control (+):0.040475±0.00131
Plate DMSO Control (-):0.6671999999999999±0.03160
Plate Z-Factor:0.7764
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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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