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Compound InformationSONAR Target prediction
Name:

7,7-Dimethyl-(5Z,8Z)-eicosadienoic acid

Unique Identifier:LOPAC 00855
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22H40O2
Molecular Weight:296.234 g/mol
X log p:7.358  (online calculus)
Lipinksi Failures2
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:16
Canonical Smiles:CCCCCCCCCCCC=CC(C)(C)C=CCCCC(O)=O
Class:Lipid
Action:Inhibitor
Selectivity:PLA2 / Lipoxygenase

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6217±0.0802566
Normalized OD Score: sc h 0.9648±0.021101
Z-Score: -1.0256±0.510028
p-Value: 0.335866
Z-Factor: -7.91129
Fitness Defect: 1.091
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:6|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.044950000000000004±0.00099
Plate DMSO Control (-):0.72885±0.11336
Plate Z-Factor:0.3798
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DBLink | Rows returned: 122 Next >> 
1877 7,7-dimethylicosa-5,8-dienoic acid
3207 icosa-5,8-dienoic acid
4028 icosa-5,8,11-trienoic acid
5282825 (5E,8E,11E)-icosa-5,8,11-trienoic acid
5312331 (5E,8E)-7,7-dimethylicosa-5,8-dienoic acid
5312332 (5E,8E,11E)-7,7-dimethylicosa-5,8,11-trienoic acid

internal high similarity DBLink | Rows returned: 1
SPE01504138 0.9783

nonactive | Cluster 13466 | Additional Members: 2 | Rows returned: 1
LOPAC 01105 0.395348837209302

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