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Compound InformationSONAR Target prediction
Name:

AVOCATIN B

Unique Identifier:SPE00211552
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C34H66O6
Molecular Weight:504.36 g/mol
X log p:0.612  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:15
Canonical Smiles:OCC(O)CC(O)CCCCCCCCCCCC=C.OCC(O)CC(O)CCCCCCCCCCCC#C
Source:Persea spp
Reference:An Acad Brasil Cienc 42 (suplemento): 45 (1970)

Found: 99 active | as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [99]
Species: 4932
Condition: SAM2
Replicates: 2
Raw OD Value: r im 0.2287±0.00487904
Normalized OD Score: sc h 0.3469±0.00124546
Z-Score: -33.0913±0.618814
p-Value: 0
Z-Factor: 0.00109166
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|F10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2007-09-21 YYYY-MM-DD
Plate CH Control (+):0.040075±0.00056
Plate DMSO Control (-):0.6517±0.12625
Plate Z-Factor:0.2976
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DBLink | Rows returned: 1
6710748 heptadec-16-ene-1,2,4-triol; heptadec-16-yne-1,2,4-triol

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 289 | Additional Members: 6 | Rows returned: 3
SPE01505234 0.439024390243902
SPE00210025 0.416666666666667
SPE00240932 0

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