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Compound InformationSONAR Target prediction
Name:

PEUCEDANIN

Unique Identifier:SPE01504168
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H14O4
Molecular Weight:244.158 g/mol
X log p:9.136  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:COc1c(oc2cc3OC(=O)C=Cc3cc21)C(C)C
Source:ex Peucedanum spp
Reference:Indian J Chem 2: 464 (1964)

Found: 451 nonactive | as graph: single | with analogs [1] << Back 121 122 123 124 125 126 127 128 129 130  Next >> [451]
Species: 4932
Condition: SPE00211531
Replicates: 2
Raw OD Value: r im 0.4070±0.0205768
Normalized OD Score: sc h 0.8877±0.00963315
Z-Score: -2.2695±0.218492
p-Value: 0.024889
Z-Factor: -0.229196
Fitness Defect: 3.6933
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.00 Celcius
Date:2006-12-21 YYYY-MM-DD
Plate CH Control (+):0.0387±0.00249
Plate DMSO Control (-):0.5065500000000001±0.01792
Plate Z-Factor:0.8645
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DBLink | Rows returned: 1
8616

internal high similarity DBLink | Rows returned: 0

active | Cluster 14605 | Additional Members: 7 | Rows returned: 1
SPE00100101 0.491228070175439

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