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Compound InformationSONAR Target prediction
Name:

Unique Identifier:8014-1474
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C11H15N5O5
Molecular Weight:282.148 g/mol
X log p:2.655  (online calculus)
Lipinksi Failures0
TPSA49.55
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:2
Canonical Smiles:Nc1ncnc2n(cnc12)C1OC(CO)C(O)C(O)C1O

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 4932
Condition: tep1-2nd
Replicates: 2
Raw OD Value: r im 0.7990±0.00346482
Normalized OD Score: sc h 1.0193±0.0318239
Z-Score: 0.4265±0.712039
p-Value: 0.64551
Z-Factor: -5.43923
Fitness Defect: 0.4377
Bioactivity Statement: Nonactive
Experimental Conditions
Library:ChemDiv-Kinase
Plate Number and Position:10|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-08-16 YYYY-MM-DD
Plate CH Control (+):0.043525±0.00197
Plate DMSO Control (-):0.8318749999999999±0.06273
Plate Z-Factor:0.8035
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DBLink | Rows returned: 6
240186 2-(6-aminopurin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
276156 2-(6-aminopurin-9-yl)-6-methyl-oxane-3,4,5-triol
7124536 (2S,3R,4R,5R,6S)-2-(6-aminopurin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
7124539 (2R,3R,4R,5R,6S)-2-(6-aminopurin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
7124544 (2S,3S,4R,5R,6S)-2-(6-aminopurin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
7124547 (2R,3S,4R,5R,6S)-2-(6-aminopurin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol

internal high similarity DBLink | Rows returned: 2
BTB 14111 0.9241
LOPAC 00011 0.9430

active | Cluster 9750 | Additional Members: 25 | Rows returned: 4
Prest466 0.433333333333333
SPE01502238 0.423728813559322
SPE01500667 0.258620689655172
Prest983 0

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