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Compound InformationSONAR Target prediction
Name:

PARAXANTHINE

Unique Identifier:SPE02300170
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:172.101 g/mol
X log p:1.673  (online calculus)
Lipinksi Failures0
TPSA52.98
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:0
Canonical Smiles:Cn1cnc2NC(=O)N(C)C(=O)c12
Source:synthetic
Reference:Eur J Pharmacol 179: 295 (1990)
Therapeutics:adenosine receptor agonist

Found: 192 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [192]
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.4313±0.000919239
Normalized OD Score: sc h 0.9872±0.00426001
Z-Score: 0.8096±0.19673
p-Value: 0.422652
Z-Factor: -14.5282
Fitness Defect: 0.8612
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|H8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.40 Celcius
Date:2008-02-05 YYYY-MM-DD
Plate CH Control (+):0.0413±0.00168
Plate DMSO Control (-):0.458125±0.01949
Plate Z-Factor:0.8633
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DBLink | Rows returned: 1
4687 1,7-dimethyl-3H-purine-2,6-dione

internal high similarity DBLink | Rows returned: 5
LOPAC 00005 0.9658
SPE01500649 0.9658
LOPAC 00008 0.9726
SPE01500155 0.9726
LOPAC 00004 1.0000

active | Cluster 11665 | Additional Members: 2 | Rows returned: 0
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