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Compound InformationSONAR Target prediction
Name:

PSEUDOBAPTIGENIN

Unique Identifier:SPE01600568
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:272.168 g/mol
X log p:15.443  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:1
Canonical Smiles:Oc1ccc2C(=O)C(=COc2c1)c1ccc2OCOc2c1
Source:Baptisia, Cladrastis, Dalbergia & Trifolium spp; also Maackia, Pisum, Pterocarpus
spp
Reference:J Chem Soc 1953: 1582

Found: 192 nonactive as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [192]
Species: 4932
Condition: SSE1
Replicates: 2
Raw OD Value: r im 0.4445±0.0207889
Normalized OD Score: sc h 0.9698±0.00295015
Z-Score: -0.8172±0.0246568
p-Value: 0.413898
Z-Factor: -8.63749
Fitness Defect: 0.8821
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-05-01 YYYY-MM-DD
Plate CH Control (+):0.041374999999999995±0.00082
Plate DMSO Control (-):0.427875±0.01969
Plate Z-Factor:0.8372
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DBLink | Rows returned: 1
5281805 3-benzo[1,3]dioxol-5-yl-7-hydroxy-chromen-4-one

internal high similarity DBLink | Rows returned: 2
JFD 02642 0.9021
SPE00210556 0.9346

active | Cluster 8155 | Additional Members: 16 | Rows returned: 3
SPE00200422 0.396551724137931
SPE00201187 0.296296296296296
SPE00102007 0

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