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Compound InformationSONAR Target prediction
Name:

Naloxone benzoylhydrazone

Unique Identifier:LOPAC 00454
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C26H27N3O4
Molecular Weight:419.304 g/mol
X log p:15.503  (online calculus)
Lipinksi Failures1
TPSA41.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:5
Canonical Smiles:Oc1ccc2CC3N(CCC45C(Oc1c24)C(CCC35O)=NNC(=O)c1ccccc1)CC=C
Class:Opioid
Action:Agonist
Selectivity:kappa

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 0.8081±0.0220617
Normalized OD Score: sc h 0.9962±0.0180516
Z-Score: -0.2217±1.34593
p-Value: 0.353008
Z-Factor: -19.7711
Fitness Defect: 1.0413
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2005-12-07 YYYY-MM-DD
Plate CH Control (+):0.03895±0.00095
Plate DMSO Control (-):0.803575±0.01339
Plate Z-Factor:0.9289
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DBLink | Rows returned: 4
4426
5486720
6324643
6603940

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 991 | Additional Members: 12 | Rows returned: 111 2 Next >> 
SPE01501115 0.4125
Prest344 0.4125
LOPAC 00458 0.4125
LOPAC 01102 0.3875
LOPAC 00472 0.285714285714286
SPE01500422 0.188405797101449

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