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Compound InformationSONAR Target prediction
Name:

(-)-Cotinine

Unique Identifier:LOPAC 00782
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10H12N2O
Molecular Weight:165.128 g/mol
X log p:7.411  (online calculus)
Lipinksi Failures1
TPSA32.67
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:1
Canonical Smiles:CN1C(CCC1=O)c1cccnc1
Class:Cholinergic
Action:Metabolite
Selectivity:Nicotinic

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: GIM3
Replicates: 4
Raw OD Value: r im 0.6026±0.0215105
Normalized OD Score: sc h 1.0458±0.0253356
Z-Score: 0.9120±0.323711
p-Value: 0.36197
Z-Factor: -3.94043
Fitness Defect: 1.0162
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:4|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.50 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.0456±0.00310
Plate DMSO Control (-):0.6872750000000001±0.18870
Plate Z-Factor:-0.0980
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DBLink | Rows returned: 4
408 1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
21907 (5R)-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
450848 1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
854019 (5S)-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one

internal high similarity DBLink | Rows returned: 1
SPE01500208 1.0000

active | Cluster 16667 | Additional Members: 5 | Rows returned: 0
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