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Compound InformationSONAR Target prediction
Name:

Avocatin B

Unique Identifier:LAT001B04
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C34H66O6
Molecular Weight:504.36 g/mol
X log p:-1.131  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:14
Canonical Smiles:OCC(O)CC(O)CCCCCCCCCCCC=C.OCC(O)CC(O)CCCCCCCCCCCC#C

Found: 5 active as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: wt18h
Replicates: 2
Raw OD Value: r im 0.0468±0.00509117
Normalized OD Score: sc h 0.0593±0.0062709
Z-Score: -26.7017±4.46673
p-Value: 0
Z-Factor: 0.915605
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:LATCA
Plate Number and Position:1|B4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.04045±0.00170
Plate DMSO Control (-):0.805925±0.01622
Plate Z-Factor:0.9334
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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: 1
SPE00211552 1.0000

active | Cluster 289 | Additional Members: 6 | Rows returned: 5
SPE01505234 0.439024390243902
LAT001F03 0.416666666666667
SPE00210025 0.416666666666667
SPE00211552 0
SPE00240932 0

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