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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 361 362 363 364 365 366 367 368 369 370  Next >> [451]
Species: 4932
Condition: SPE01500431
Replicates: 2
Raw OD Value: r im 0.8155±0.0132229
Normalized OD Score: sc h 1.0109±0.00408121
Z-Score: 0.5653±0.189246
p-Value: 0.575264
Z-Factor: -3.96325
Fitness Defect: 0.5529
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|G6
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:22.40 Celcius
Date:2006-11-15 YYYY-MM-DD
Plate CH Control (+):0.039724999999999996±0.00272
Plate DMSO Control (-):0.819375±0.01770
Plate Z-Factor:0.9167
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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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