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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: 4 active | as graph: single | with analogs 1 2 3 4 Next >> 
Species: 4932
Condition: DBP3
Replicates: 2
Raw OD Value: r im 0.5788±0.0235467
Normalized OD Score: sc h 0.8701±0.0127007
Z-Score: -6.7526±0.909464
p-Value: 0.000000000499716
Z-Factor: -0.33714
Fitness Defect: 21.417
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|E4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2007-09-13 YYYY-MM-DD
Plate CH Control (+):0.0398±0.00039
Plate DMSO Control (-):0.6654249999999999±0.02790
Plate Z-Factor:0.8683
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DBLink | Rows returned: 282[1] << Back 41 42 43 44 45 46 47 Next >> [47]
6441833 azane; (E)-octadec-9-enoate; zinc(+2) cation
6442574 (E)-9-methyldec-7-enoic acid
6443581 (E)-11-[2-(1-hydroxyhexyl)cyclopropyl]undec-8-enoic acid
6443989 (E)-hexacos-18-enoic acid
6443996 (E)-11-methyloctadec-12-enoic acid
6445779 lanthanum(+3) cation; (E)-octadec-9-enoate

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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