Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 Next >> [114]
Species: 4932
Condition: VPS5
Replicates: 2
Raw OD Value: r im 0.8239±0.00127279
Normalized OD Score: sc h 0.9973±0.00181455
Z-Score: -0.1474±0.097649
p-Value: 0.88311
Z-Factor: -82.9637
Fitness Defect: 0.1243
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|D4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2006-03-30 YYYY-MM-DD
Plate CH Control (+):0.0393±0.00217
Plate DMSO Control (-):0.81615±0.01045
Plate Z-Factor:0.9617
png
ps
pdf

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
Service provided by the Mike Tyers Laboratory