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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
Species: 4932
Condition: SER1
Replicates: 2
Raw OD Value: r im 0.4464±0.00954594
Normalized OD Score: sc h 0.7950±0.00434758
Z-Score: -6.4595±0.0403573
p-Value: 0.000000000106887
Z-Factor: -2.38153
Fitness Defect: 22.9592
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|E4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2007-09-17 YYYY-MM-DD
Plate CH Control (+):0.040025000000000005±0.00056
Plate DMSO Control (-):0.56445±0.09310
Plate Z-Factor:0.4138
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DBLink | Rows returned: 282[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [47]
5284022 (4R)-4-[(5S,9R,10S,13R,17R)-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phen
anthren-17-yl]pentanoic acid
5284049 (4R)-4-[(5R,8R,9S,10S,13R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]
phenanthren-17-yl]pentanoic acid
5284122 (4R)-4-[(5R,9R,10R,13R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]ph
enanthren-17-yl]pentanoic acid
5284434 sodium (E)-octadec-9-enoate
5312300 (E)-7-methylhexadec-6-enoic acid
5312301 (E)-14-methylhexadec-8-enoic 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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