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Compound InformationSONAR Target prediction
Name:

COTININE

Unique Identifier:SPE01500208
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
Source:ex Nicotiana tabacum
Reference:JACS 79: 149 (1957)
Therapeutics:antidepressant

Found: 114 nonactive as graph: single | with analogs [1] << Back 111 112 113 114
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.6917±0.00678822
Normalized OD Score: sc h 1.0049±0.00686652
Z-Score: 0.1591±0.222699
p-Value: 0.87513
Z-Factor: -6.56743
Fitness Defect: 0.1334
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|D4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.20 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.0408±0.00226
Plate DMSO Control (-):0.6737±0.01432
Plate Z-Factor:0.9157
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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
LOPAC 00782 1.0000

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