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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 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: CIN2
Replicates: 2
Raw OD Value: r im 0.8216±0.00912168
Normalized OD Score: sc h 1.0071±0.00370316
Z-Score: 0.5528±0.33512
p-Value: 0.59088
Z-Factor: -9.43109
Fitness Defect: 0.5261
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|B4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2005-12-07 YYYY-MM-DD
Plate CH Control (+):0.03895±0.00095
Plate DMSO Control (-):0.803575±0.01339
Plate Z-Factor:0.9289
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DBLink | Rows returned: 282[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [47]
160156 (4R)-4-[(5R,8S,9S,10R,13R,14S)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]
phenanthren-17-yl]pentanoic acid
164601 11-[(1R)-1-cyclopent-2-enyl]undecanoic acid
177655 octadec-15-enoic acid
195858 9-(6-propyl-1-cyclohex-3-enyl)nonanoic acid
220039 6-(1-cyclohexenyl)hexanoic acid
220339 7-ethyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid

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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