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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 111 112 113 114 115 116 117 118 119 120  Next >> [451]
Species: 4932
Condition: SPE00211126
Replicates: 2
Raw OD Value: r im 0.6770±0.00254558
Normalized OD Score: sc h 1.0387±0.00000847338
Z-Score: 1.9782±0.00543291
p-Value: 0.0479078
Z-Factor: 0.079675
Fitness Defect: 3.0385
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.40 Celcius
Date:2006-12-20 YYYY-MM-DD
Plate CH Control (+):0.040650000000000006±0.00258
Plate DMSO Control (-):0.667475±0.00829
Plate Z-Factor:0.9483
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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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