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Compound InformationSONAR Target prediction
Name:

Oleic Acid

Unique Identifier:LOPAC 01105
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H34O2
Molecular Weight:248.191 g/mol
X log p:3.318  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:15
Canonical Smiles:CCCCCCCC=CCCCCCCCCC(O)=O
Class:Phosphorylation
Action:Activator
Selectivity:PKC
Generic_name:OLEIC ACID
Chemical_iupac_name:OLEIC ACID
Drug_type:Experimental
Kegg_compound_id:C00712
Drugbank_id:EXPT02430
Logp:6.036
Cas_registry_number:112-80-1
Drug_category:Serum Albumin inhibitor
Organisms_affected:-1

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 0.6366±0.031537
Normalized OD Score: sc h 1.0140±0.0425344
Z-Score: 0.5002±1.33687
p-Value: 0.402284
Z-Factor: -5.06018
Fitness Defect: 0.9106
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|B4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.045875±0.00087
Plate DMSO Control (-):0.6643749999999999±0.09786
Plate Z-Factor:0.7360
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DBLink | Rows returned: 282[1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [47]
6365284 potassium (E)-docos-13-enoate
6365636 calcium (E)-hexadec-9-enoate
6366461 sodium (E)-icos-9-enoate
6366462 potassium (E)-icos-9-enoate
6430788 (E)-hexadec-8-enoic acid
6433167 calcium (E)-octadec-9-enoate

internal high similarity DBLink | Rows returned: 5
SPE00100550 0.9091
SPE01800031 0.9091
BTBG 00247 0.9524
SPE00310016 1.0000
SPE01500856 1.0000

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