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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 11 12 13 14 15 16 17 18 19 20  Next >> [192]
Species: 4932
Condition: BRE1
Replicates: 2
Raw OD Value: r im 0.4683±0.0325976
Normalized OD Score: sc h 1.0437±0.0023637
Z-Score: 0.7922±0.0793076
p-Value: 0.42899
Z-Factor: -7.76296
Fitness Defect: 0.8463
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|G5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.30 Celcius
Date:2006-03-16 YYYY-MM-DD
Plate CH Control (+):0.039925±0.00115
Plate DMSO Control (-):0.42325±0.02933
Plate Z-Factor:0.7677
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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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