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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 81 82 83 84 85 86 87 88 89 90  Next >> [101]
Species: 4932
Condition: SER1
Replicates: 2
Raw OD Value: r im 0.6624±0.0349311
Normalized OD Score: sc h 1.0020±0.00277539
Z-Score: 0.0608±0.0857557
p-Value: 0.951598
Z-Factor: -15.0287
Fitness Defect: 0.0496
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:10|B3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.90 Celcius
Date:2007-09-17 YYYY-MM-DD
Plate CH Control (+):0.040025±0.00143
Plate DMSO Control (-):0.6537±0.11735
Plate Z-Factor:0.4002
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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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