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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 31 32 33 34 35 36 37 38 39 40  Next >> [61]
Species: 4932
Condition: GIM3
Replicates: 2
Raw OD Value: r im 0.6177±0.00890955
Normalized OD Score: sc h 0.8592±0.0240811
Z-Score: -4.4170±0.44856
p-Value: 0.0000217688
Z-Factor: -0.102973
Fitness Defect: 10.735
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2006-03-15 YYYY-MM-DD
Plate CH Control (+):0.038375±0.00196
Plate DMSO Control (-):0.73515±0.01926
Plate Z-Factor:0.8997
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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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