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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 2 3 4 5 6 7 8 9 10  Next >> [114]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.9160±0.017607
Normalized OD Score: sc h 1.0189±0.00928716
Z-Score: 0.2852±0.186532
p-Value: 0.77738
Z-Factor: -6.0204
Fitness Defect: 0.2518
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:1|G10
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.10150000000000002±0.00652
Plate DMSO Control (-):0.9764999999999999±0.01278
Plate Z-Factor:0.9338
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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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