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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 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.6946±0.0176777
Normalized OD Score: sc h 0.9741±0.0103244
Z-Score: -1.1855±0.212685
p-Value: 0.241106
Z-Factor: -1.79694
Fitness Defect: 1.4225
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|A2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2008-05-13 YYYY-MM-DD
Plate CH Control (+):0.041374999999999995±0.00264
Plate DMSO Control (-):0.6988000000000001±0.01639
Plate Z-Factor:0.8978
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DBLink | Rows returned: 1
6453902

internal high similarity DBLink | Rows returned: 0

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

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