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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 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.7233±0.0204426
Normalized OD Score: sc h 0.9662±0.0279092
Z-Score: -1.1712±0.603612
p-Value: 0.241552
Z-Factor: -4.68901
Fitness Defect: 1.4207
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:15|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.80 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.04751874999999998±0.00095
Plate DMSO Control (-):0.7299000000000002±0.02601
Plate Z-Factor:0.8738
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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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