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Compound InformationSONAR Target prediction
Name:

Naloxonazine dihydrochloride

Unique Identifier:LOPAC 01102
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C38Cl2H44N4O6
Molecular Weight:679.335 g/mol
X log p:11.664  (online calculus)
Lipinksi Failures1
TPSA49.66
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:5
Canonical Smiles:Cl.Cl.Oc1ccc2CC3N(CCC45C(Oc1c24)C(CCC35O)=NN=C1CCC2(O)C3Cc4ccc(O)c5OC1
C2(CCN3CC=C)c45)CC=C
Class:Opioid
Action:Antagonist
Selectivity:mu1

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.6655±0.0104652
Normalized OD Score: sc h 1.0055±0.00319686
Z-Score: 0.1466±0.0756537
p-Value: 0.883632
Z-Factor: -5.39694
Fitness Defect: 0.1237
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2005-11-15 YYYY-MM-DD
Plate CH Control (+):0.039900000000000005±0.00217
Plate DMSO Control (-):0.6669±0.01835
Plate Z-Factor:0.9014
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DBLink | Rows returned: 6
4424
5464896
5485208
5487895
6394998
6603941

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 991 | Additional Members: 12 | Rows returned: 111 2 Next >> 
LOPAC 00454 0.473118279569893
SPE01501115 0.4125
Prest344 0.4125
LOPAC 00458 0.4125
LOPAC 00472 0.285714285714286
SPE01500422 0.188405797101449

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