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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: SWE1
Replicates: 2
Raw OD Value: r im 0.6982±0.00304056
Normalized OD Score: sc h 0.9935±0.000341025
Z-Score: -0.0116±0.0111574
p-Value: 0.990742
Z-Factor: -21.9633
Fitness Defect: 0.0093
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2008-05-13 YYYY-MM-DD
Plate CH Control (+):0.040825±0.00067
Plate DMSO Control (-):0.692725±0.01203
Plate Z-Factor:0.9429
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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

nonactive | Cluster 8155 | Additional Members: 16 | Rows returned: 82 Next >> 
SPE00200416 0.435483870967742
SPE00200422 0.396551724137931
SPE00201309 0.372881355932203
SPE00201310 0.355932203389831
SPE00201187 0.296296296296296
LOPAC 00426 0.274509803921569

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