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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 191 192 193 194 195 196 197 198 199 200  Next >> [205]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.8295±0.00304056
Normalized OD Score: sc h 1.0130±0.000759201
Z-Score: 0.1263±0.0369131
p-Value: 0.899524
Z-Factor: -19.8677
Fitness Defect: 0.1059
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:15|E11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09950000000000002±0.00698
Plate DMSO Control (-):0.94575±0.01640
Plate Z-Factor:0.9371
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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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