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Compound InformationSONAR Target prediction
Name:

BRAZILEIN

Unique Identifier:SPE00200463
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:272.168 g/mol
X log p:9.862  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:0
Canonical Smiles:Oc1ccc2c(OCC3(O)Cc4cc(=O)c(O)cc4=C23)c1
Class:quinone methide
Source:Caesalpinia spp
Reference:Phytochemistry 46: 177 (1997)

Found: 205 nonactive as graph: single | with analogs [1] << Back 161 162 163 164 165 166 167 168 169 170  Next >> [205]
Species: 4932
Condition: RSA3
Replicates: 2
Raw OD Value: r im 0.6831±0.0231931
Normalized OD Score: sc h 0.9913±0.00980743
Z-Score: -0.3769±0.418686
p-Value: 0.718298
Z-Factor: -10.5126
Fitness Defect: 0.3309
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|A2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2008-04-01 YYYY-MM-DD
Plate CH Control (+):0.03985±0.00061
Plate DMSO Control (-):0.678125±0.01520
Plate Z-Factor:0.9099
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DBLink | Rows returned: 1
6453902

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 968 | Additional Members: 2 | Rows returned: 1
SPE01502253 0

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