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Compound InformationSONAR Target prediction
Name:

CHOL-11-ENIC ACID

Unique Identifier:SPE01500856
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24H36O3
Molecular Weight:337.263 g/mol
X log p:4.247  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:CC(CCC(O)=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3C=CC12C
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: 110 nonactive | as graph: single | with analogs [1] << Back 101 102 103 104 105 106 107 108 109 110 Next >> [110]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.7125±0.00417193
Normalized OD Score: sc h 0.9885±0.00963081
Z-Score: 1.7827±0.46268
p-Value: 0.0901932
Z-Factor: -2.52485
Fitness Defect: 2.4058
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:18|E5
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09900000000000002±0.01066
Plate DMSO Control (-):0.9122500000000001±0.02653
Plate Z-Factor:0.8552
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DBLink | Rows returned: 2821 2 3 4 5 6 7 8 9 10  Next >> [47]
965 octadec-9-enoic acid
4668 hexadec-9-enoic acid
8216 docos-13-enoic acid
10416 7-(2-octyl-1-cyclopropenyl)heptanoic acid
11634 octadec-6-enoic acid
12921 8-(2-octyl-1-cyclopropenyl)octanoic acid

internal high similarity DBLink | Rows returned: 5
SPE00100550 0.9091
SPE01800031 0.9091
BTBG 00247 0.9524
LOPAC 01105 1.0000
SPE00310016 1.0000

active | Cluster 15990 | Additional Members: 2 | Rows returned: 1
SPE01500848 0.325

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