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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 111 112 113 114 115 116 117 118 119 120  Next >> [205]
Species: 4932
Condition: CHS3
Replicates: 2
Raw OD Value: r im 0.6451±0.0289207
Normalized OD Score: sc h 0.9902±0.0134018
Z-Score: -0.4474±0.607601
p-Value: 0.683136
Z-Factor: -9
Fitness Defect: 0.3811
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|A2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2008-06-20 YYYY-MM-DD
Plate CH Control (+):0.04005±0.00134
Plate DMSO Control (-):0.6516500000000001±0.01567
Plate Z-Factor:0.8938
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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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