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Compound InformationSONAR Target prediction
Name:

Unique Identifier:S001-0029
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10H14N6O3
Molecular Weight:252.146 g/mol
X log p:-0.163  (online calculus)
Lipinksi Failures0
TPSA49.55
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:9
Rotatable Bond Count:2
Canonical Smiles:Nc1nc(N)c2ncn(C3CC(O)C(CO)O3)c2n1

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 4932
Condition: tep1-2nd
Replicates: 2
Raw OD Value: r im 0.8583±0.0150614
Normalized OD Score: sc h 1.0313±0.00204721
Z-Score: 0.7278±0.0905536
p-Value: 0.46765
Z-Factor: -1.73736
Fitness Defect: 0.76
Bioactivity Statement: Nonactive
Experimental Conditions
Library:ChemDiv-Kinase
Plate Number and Position:13|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-08-16 YYYY-MM-DD
Plate CH Control (+):0.04425±0.00190
Plate DMSO Control (-):0.7984±0.02460
Plate Z-Factor:0.9051
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DBLink | Rows returned: 3
97188 (2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
266446 5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
451881 (2R,3R,5R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

internal high similarity DBLink | Rows returned: 1
1075-0001 0.9272

active | Cluster 4055 | Additional Members: 6 | Rows returned: 0

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