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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 21 22 23 24
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6968±0.1055
Normalized OD Score: sc h 1.0697±0.00612117
Z-Score: 2.1188±0.438541
p-Value: 0.0428198
Z-Factor: -1.93129
Fitness Defect: 3.1508
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:6|C4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.044950000000000004±0.00099
Plate DMSO Control (-):0.72885±0.11336
Plate Z-Factor:0.3798
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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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