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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 << Back 1 2 3 4 Next >> 
Species: 4932
Condition: MRT4
Replicates: 2
Raw OD Value: r im 0.4979±0.0448306
Normalized OD Score: sc h 0.8088±0.00166513
Z-Score: -6.3545±0.979435
p-Value: 0.00000000748408
Z-Factor: -0.263785
Fitness Defect: 18.7105
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|E4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2007-08-30 YYYY-MM-DD
Plate CH Control (+):0.039874999999999994±0.00238
Plate DMSO Control (-):0.5941000000000001±0.04362
Plate Z-Factor:0.7386
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DBLink | Rows returned: 282[1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [47]
5460988 (E)-icos-9-enoic acid
5460989 (E)-icos-9-enoate
5460999 (E)-docos-13-enoate
5461001 (E)-tetracos-15-enoate
5461008 (E)-octadec-6-enoate
5461010 (E)-octadec-6-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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