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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: 61 active | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [61]
Species: 4932
Condition: SER1
Replicates: 2
Raw OD Value: r im 0.5607±0.0350725
Normalized OD Score: sc h 0.8282±0.0166526
Z-Score: -5.4055±0.376182
p-Value: 0.000000144845
Z-Factor: -0.852924
Fitness Defect: 15.7476
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.30 Celcius
Date:2007-09-17 YYYY-MM-DD
Plate CH Control (+):0.04025±0.00115
Plate DMSO Control (-):0.6542749999999999±0.05152
Plate Z-Factor:0.7159
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DBLink | Rows returned: 1
8616

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 14605 | Additional Members: 7 | Rows returned: 3
SPE00100101 0.491228070175439
SPE01502242 0
Prest1125 0

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