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Compound InformationSONAR Target prediction
Name:

4`-Chloro-3-alpha-(diphenylmethoxy)tropane hydrochloride

Unique Identifier:LOPAC 00255
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21Cl2H25NO
Molecular Weight:353.136 g/mol
X log p:19.596  (online calculus)
Lipinksi Failures1
TPSA12.47
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:4
Canonical Smiles:Cl.CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1
Class:Dopamine
Action:Blocker
Selectivity:Reuptake

Found: 23 nonactive | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [23]
Species: 4932
Condition: TEP1
Replicates: 2
Raw OD Value: r im 0.6114±0.0426385
Normalized OD Score: sc h 1.0312±0.0196334
Z-Score: 1.1829±0.581831
p-Value: 0.275628
Z-Factor: -2.37522
Fitness Defect: 1.2887
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:5|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-05-17 YYYY-MM-DD
Plate CH Control (+):0.04395±0.00095
Plate DMSO Control (-):0.56705±0.01305
Plate Z-Factor:0.9049
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DBLink | Rows returned: 5
1687 3-[(4-chlorophenyl)-phenyl-methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
23086 7-[(4-chlorophenyl)-phenyl-methoxy]-9-methyl-9-azabicyclo[3.3.1]nonane
203135 3-[(4-chlorophenyl)-phenyl-methoxy]-8-methyl-8-azabicyclo[3.2.1]octane hydrochloride
6603763 (1R,5S)-3-[(S)-(4-chlorophenyl)-phenyl-methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
15983944 (1S,5S)-3-[(4-chlorophenyl)-phenyl-methoxy]-8-methyl-8-azabicyclo[3.2.1]octane

internal high similarity DBLink | Rows returned: 0

active | Cluster 2609 | Additional Members: 7 | Rows returned: 1
SPE01500142 0

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