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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 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.8346±0.0793472
Normalized OD Score: sc h 1.0122±0.0332474
Z-Score: 0.3827±0.971562
p-Value: 0.40714
Z-Factor: -7.28123
Fitness Defect: 0.8986
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.80 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.04828125±0.00201
Plate DMSO Control (-):0.7658250000000002±0.03188
Plate Z-Factor:0.8701
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DBLink | Rows returned: 4
4426
5486720
6324643
6603940

internal high similarity DBLink | Rows returned: 0

active | Cluster 991 | Additional Members: 12 | Rows returned: 2
Prest344 0.4125
Prest879 0.188405797101449

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