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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 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.8568±0.103959
Normalized OD Score: sc h 1.0601±0.0691738
Z-Score: 1.5957±2.32138
p-Value: 0.145695
Z-Factor: -3.96847
Fitness Defect: 1.9262
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|A6
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: 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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