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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 21 22 23 24
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6694±0.00572756
Normalized OD Score: sc h 1.0216±0.00707321
Z-Score: 0.6660±0.292401
p-Value: 0.514434
Z-Factor: -4.12031
Fitness Defect: 0.6647
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:4|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.046825±0.00096
Plate DMSO Control (-):0.7020500000000001±0.15227
Plate Z-Factor:0.3359
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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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