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Compound InformationSONAR Target prediction
Name:

INOSINE

Unique Identifier:SPE03100024
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:256.131 g/mol
X log p:3.243  (online calculus)
Lipinksi Failures0
TPSA54.26
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:9
Rotatable Bond Count:2
Canonical Smiles:OCC1OC(C(O)C1O)n1cnc2C(=O)NC=Nc12
Class:carbohydrate
Source:meat extracts, sugar beet, Bacillus subtilis, E. coli, Saccharomyces cerevisiae,
Fusarium spp
Reference:Biochem Biophys Res Commun 13:394 (1963); J Pharmacol 14:47 (1983)
Therapeutics:cell function activator, cardiotonic

Found: 205 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BCK2
Replicates: 2
Raw OD Value: r im 0.7437±0.0167584
Normalized OD Score: sc h 1.0017±0.00187241
Z-Score: 0.0657±0.070642
p-Value: 0.947644
Z-Factor: -9.87613
Fitness Defect: 0.0538
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|D6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2006-03-29 YYYY-MM-DD
Plate CH Control (+):0.03755±0.00124
Plate DMSO Control (-):0.7292749999999999±0.01192
Plate Z-Factor:0.9323
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DBLink | Rows returned: 1
5257418 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one; methylmercury; methylmercury

internal high similarity DBLink | Rows returned: 2
SPE01502110 0.9259
HTS 11476 0.9615

active | Cluster 13033 | Additional Members: 5 | Rows returned: 1
SPE01502110 0.360655737704918

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