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Compound InformationSONAR Target prediction
Name:

SQ 22536

Unique Identifier:LOPAC 00464
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C9H11N5O
Molecular Weight:194.129 g/mol
X log p:3.356  (online calculus)
Lipinksi Failures0
TPSA49.55
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:1
Canonical Smiles:Nc1ncnc2n(cnc12)C1CCCO1
Class:Cyclic Nucleotides
Action:Inhibitor
Selectivity:Adenylyl cyclase

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 0.6187±0.0191626
Normalized OD Score: sc h 0.9773±0.0225687
Z-Score: -0.7280±0.764976
p-Value: 0.528016
Z-Factor: -7.0209
Fitness Defect: 0.6386
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:15|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.046575000000000005±0.00125
Plate DMSO Control (-):0.673±0.15246
Plate Z-Factor:0.3292
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DBLink | Rows returned: 2
5270 9-(oxolan-2-yl)purin-6-amine
6603995 9-[(2S)-oxolan-2-yl]purin-6-amine

internal high similarity DBLink | Rows returned: 0

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

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