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Compound InformationSONAR Target prediction
Name:

CHAULMOOGRIC ACID

Unique Identifier:SPE00310016
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H32O2
Molecular Weight:248.191 g/mol
X log p:3.579  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:13
Canonical Smiles:OC(=O)CCCCCCCCCCCCC1CCC=C1
Source:ex oils of Hydnocarpus and Oncola spp
Reference:J Chromatography 39: 182 (1969)
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: 48 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [48]
Species: 4932
Condition: SPE01800123
Replicates: 2
Raw OD Value: r im 0.5325±0.0168291
Normalized OD Score: sc h 1.7185±0.0182952
Z-Score: 5.3189±0.401737
p-Value: 0.000000249642
Z-Factor: -22.3611
Fitness Defect: 15.2032
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2007-01-19 YYYY-MM-DD
Plate CH Control (+):0.20525±0.00423
Plate DMSO Control (-):0.438825±1.76537
Plate Z-Factor:0.1636
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DBLink | Rows returned: 282[1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [47]
5312520 (E)-icos-15-enoic acid
5312523 (E)-icos-8-enoic acid
5312526 (7E,13E)-icosa-7,13-dienoic acid
5312547 (E)-henicos-12-enoic acid
5312549 (E)-docos-11-enoic acid
5312550 (E)-docos-15-enoic acid

internal high similarity DBLink | Rows returned: 5
SPE00100550 0.9091
SPE01800031 0.9091
BTBG 00247 0.9524
LOPAC 01105 1.0000
SPE01500856 1.0000

active | Cluster 3231 | Additional Members: 3 | Rows returned: 1
SPE00310017 0

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