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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 2 3 4 5 6 7 8 9 10  Next >> [110]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7219±0.00459619
Normalized OD Score: sc h 1.0310±0.000565933
Z-Score: 1.6858±0.0561622
p-Value: 0.092092
Z-Factor: -1.89692
Fitness Defect: 2.385
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|E4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.00 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.041675000000000004±0.00068
Plate DMSO Control (-):0.6857500000000001±0.02249
Plate Z-Factor:0.8773
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DBLink | Rows returned: 282[1] << Back 41 42 43 44 45 46 47 Next >> [47]
7056807 (4S)-4-[(5S,8S,9R,10R,13R,14S,17R)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent
a[a]phenanthren-17-yl]pentanoate
7056808 (4S)-4-[(5S,8S,9R,10R,13R,14S,17R)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent
a[a]phenanthren-17-yl]pentanoic acid
7056809 (4S)-4-[(5S,8S,9R,10R,13R,14R,17S)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent
a[a]phenanthren-17-yl]pentanoate
7056810 (4S)-4-[(5S,8S,9R,10R,13R,14R,17S)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent
a[a]phenanthren-17-yl]pentanoic acid
7056811 (4S)-4-[(5S,8S,9R,10R,13R,14R,17R)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent
a[a]phenanthren-17-yl]pentanoate
7056812 (4S)-4-[(5S,8S,9R,10R,13R,14R,17R)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent
a[a]phenanthren-17-yl]pentanoic 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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