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Compound InformationSONAR Target prediction
Name:

Avocatin A

Unique Identifier:LAT001F03
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C38H70O8
Molecular Weight:584.402 g/mol
X log p:1.085  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:17
Canonical Smiles:CC(=O)OCC(O)CC(O)CCCCCCCCCCCC=C.CC(=O)OCC(O)CC(O)CCCCCCCCCCCC#C

Found: 5 active as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr24h
Replicates: 2
Raw OD Value: r im 0.0412±0.000141421
Normalized OD Score: sc h 0.0568±0.000317121
Z-Score: -40.4315±0.972546
p-Value: 0
Z-Factor: -0.21412
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:LATCA
Plate Number and Position:1|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.040225±0.00178
Plate DMSO Control (-):0.6901999999999999±0.23283
Plate Z-Factor:-0.0802
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DBLink | Rows returned: 1
6710728 2,4-dihydroxyheptadec-16-enyl acetate; 2,4-dihydroxyheptadec-16-ynyl acetate

internal high similarity DBLink | Rows returned: 1
SPE00210025 1.0000

nonactive | Cluster 289 | Additional Members: 6 | Rows returned: 4
SPE01505234 0.439024390243902
SPE00210025 0.416666666666667
SPE00211552 0
SPE00240932 0

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