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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: 19 nonactive | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: MRC1
Replicates: 2
Raw OD Value: r im 0.6665±0.183141
Normalized OD Score: sc h 0.8028±0.24315
Z-Score: -13.5647±16.3993
p-Value: 0.0244952
Z-Factor: -2.96242
Fitness Defect: 3.7093
Bioactivity Statement: Outlier
Experimental Conditions
Library:Lopac
Plate Number and Position:12|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2005-12-06 YYYY-MM-DD
Plate CH Control (+):0.33182500000000004±0.13802
Plate DMSO Control (-):0.8097749999999999±0.01236
Plate Z-Factor:0.9373
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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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