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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 181 182 183 184 185 186 187 188 189 190  Next >> [192]
Species: 4932
Condition: VPH1
Replicates: 2
Raw OD Value: r im 0.4886±0.0281428
Normalized OD Score: sc h 1.0164±0.00863454
Z-Score: 0.2954±0.177066
p-Value: 0.76942
Z-Factor: -4.80366
Fitness Defect: 0.2621
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2008-03-01 YYYY-MM-DD
Plate CH Control (+):0.039650000000000005±0.00359
Plate DMSO Control (-):0.440925±0.01662
Plate Z-Factor:0.8719
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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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