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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: DEP1
Replicates: 2
Raw OD Value: r im 0.6540±0.00473762
Normalized OD Score: sc h 1.0190±0.0147658
Z-Score: 0.7952±0.641717
p-Value: 0.472214
Z-Factor: -3.07817
Fitness Defect: 0.7503
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:4|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2005-11-16 YYYY-MM-DD
Plate CH Control (+):0.039125±0.00135
Plate DMSO Control (-):0.628025±0.00914
Plate Z-Factor:0.9378
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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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