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Compound InformationSONAR Target prediction
Name:

(±)-Octoclothepin maleate

Unique Identifier:LOPAC 00294
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23ClH25N2O4S
Molecular Weight:436.784 g/mol
X log p:15.692  (online calculus)
Lipinksi Failures1
TPSA31.78
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:1
Canonical Smiles:CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12.OC(=O)C=CC(O)=O
Class:Dopamine
Action:Antagonist
Selectivity:DRD2

Found: 5 active | as graph: single | with analogs 1 2 3 4 5 Next >> 
Species: 4932
Condition: DEP1
Replicates: 2
Raw OD Value: r im 0.5446±0.00954594
Normalized OD Score: sc h 0.8831±0.0109793
Z-Score: -4.7926±0.234845
p-Value: 0.00000221446
Z-Factor: 0.184055
Fitness Defect: 13.0205
Bioactivity Statement: Active
Experimental Conditions
Library:Lopac
Plate Number and Position:12|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2005-11-16 YYYY-MM-DD
Plate CH Control (+):0.040525±0.00148
Plate DMSO Control (-):0.59825±0.01150
Plate Z-Factor:0.9138
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DBLink | Rows returned: 3
6445052
6445407
6445807

internal high similarity DBLink | Rows returned: 0

active | Cluster 5447 | Additional Members: 4 | Rows returned: 2
LOPAC 00521 0
SPE01503637 0

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