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Compound InformationSONAR Target prediction
Name:

3-deazaadenosine

Unique Identifier:LOPAC 00858
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10H12N4O4
Molecular Weight:240.132 g/mol
X log p:5.389  (online calculus)
Lipinksi Failures1
TPSA49.55
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:2
Canonical Smiles:OCC1OC(C(O)C1O)n1cnc2cncnc12
Class:Immune System
Action:Inhibitor

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: CLN3
Replicates: 2
Raw OD Value: r im 0.6115±0.0156271
Normalized OD Score: sc h 1.0110±0.00499746
Z-Score: 0.3698±0.111147
p-Value: 0.712348
Z-Factor: -3.76658
Fitness Defect: 0.3392
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:6|C4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.90 Celcius
Date:2005-05-08 YYYY-MM-DD
Plate CH Control (+):0.04605±0.00089
Plate DMSO Control (-):0.6449499999999999±0.04711
Plate Z-Factor:0.7541
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DBLink | Rows returned: 10<< Back 1 2
7349521 (2S,3R,4R,5S)-2-(hydroxymethyl)-5-purin-9-yl-oxolane-3,4-diol
7349522 (2S,3R,4R,5R)-2-(hydroxymethyl)-5-purin-9-yl-oxolane-3,4-diol
7349523 (2S,3R,4S,5S)-2-(hydroxymethyl)-5-purin-9-yl-oxolane-3,4-diol
7349524 (2S,3R,4S,5R)-2-(hydroxymethyl)-5-purin-9-yl-oxolane-3,4-diol

internal high similarity DBLink | Rows returned: 0

active | Cluster 16028 | Additional Members: 4 | Rows returned: 0

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