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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 << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.1081±0.00777817
Normalized OD Score: sc h 0.1663±0.0169011
Z-Score: -22.8596±2.27943
p-Value: 0
Z-Factor: 0.838374
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:Lopac
Plate Number and Position:12|A6
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: 3
6445052
6445407
6445807

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 5447 | Additional Members: 4 | Rows returned: 3
Prest739 0
LOPAC 00521 0
SPE01503637 0

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