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Compound InformationSONAR Target prediction
Name:

BURASAINE

Unique Identifier:SPE00300517
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H23N2O7
Molecular Weight:392.234 g/mol
X log p:15.053  (online calculus)
Lipinksi Failures1
TPSA39.93
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:[O-][N+](O)=O.COc1ccc2cc3c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC
Source:ex Burasaia madagascariensis
Reference:personal communication, P. Rasoanaivo
Therapeutics:antiplasmodium activity

Found: 101 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: BNI4
Replicates: 2
Raw OD Value: r im 0.7057±0.0206475
Normalized OD Score: sc h 1.0297±0.00507348
Z-Score: 0.9278±0.230531
p-Value: 0.359854
Z-Factor: -2.681
Fitness Defect: 1.0221
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:10|B3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2006-03-22 YYYY-MM-DD
Plate CH Control (+):0.039325±0.00102
Plate DMSO Control (-):0.6717500000000001±0.01857
Plate Z-Factor:0.9005
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 2
SPE01500811 0.9275
SPE01500872 0.9781

active | Cluster 10382 | Additional Members: 9 | Rows returned: 5
Prest374 0.328358208955224
Prest91 0
LAT002A08 0
LAT004G09 0
SPE01500811 0

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