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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 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: KRE1
Replicates: 2
Raw OD Value: r im 0.6934±0.00367696
Normalized OD Score: sc h 1.0185±0.00835613
Z-Score: 0.7974±0.385351
p-Value: 0.442176
Z-Factor: -5.35551
Fitness Defect: 0.816
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:6|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.90 Celcius
Date:2005-11-22 YYYY-MM-DD
Plate CH Control (+):0.038375±0.00106
Plate DMSO Control (-):0.6622250000000001±0.02208
Plate Z-Factor:0.9099
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DBLink | Rows returned: 12<< Back 1 2
5312333 (5E,8E,11E)-10,10-dimethylicosa-5,8,11-trienoic acid
5312474 (5E,8E)-octadeca-5,8-dienoic acid
5312492 (5E,8E,11E)-octadeca-5,8,11-trienoic acid
5312531 (5E,8E,11E)-icosa-5,8,11-trienoic acid
5353602 (5E,8E)-icosa-5,8-dienoic acid
6443300 (5E,8E)-octadeca-5,8-dienoic acid

internal high similarity DBLink | Rows returned: 1
SPE01504138 0.9783

active | Cluster 13466 | Additional Members: 2 | Rows returned: 0

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