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Compound InformationSONAR Target prediction
Name:

Cotinine (-)

Unique Identifier:Prest134
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10H12N2O
Molecular Weight:164.12 g/mol
X log p:7.689  (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

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 2218.0000±0
Normalized OD Score: sc h 1.0745±0
Z-Score: 1.6790±0
p-Value: 0.0931594
Z-Factor: -3.84746
Fitness Defect: 2.3734
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:2|A3
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.40 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):979±955.64442
Plate DMSO Control (-):1983.5±536.09994
Plate Z-Factor:-4.7841
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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: 0

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