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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 21 22 23 24 25 26 27 28 29 30  Next >> [48]
Species: 4932
Condition: PAC10
Replicates: 2
Raw OD Value: r im 0.6630±0.0632153
Normalized OD Score: sc h 0.8089±0.083778
Z-Score: -5.1259±2.08104
p-Value: 0.00012888
Z-Factor: -0.499821
Fitness Defect: 8.9566
Bioactivity Statement: Outlier
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2006-03-14 YYYY-MM-DD
Plate CH Control (+):0.038625±0.00155
Plate DMSO Control (-):0.8093±0.00937
Plate Z-Factor:0.9565
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DBLink | Rows returned: 282[1] << Back 41 42 43 44 45 46 47 Next >> [47]
6451818 (E)-octadec-9-enoate; zirconium(+4) cation
6451988 (8S,9S,10R,13R,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenant
hrene-17-carboxylic acid
6453742 (E)-octadec-9-enoate; strontium(+2) cation
6454955 3-(4-methyl-1-cyclohex-3-enyl)butanoic acid
6455512 (E)-hexadec-9-enoate; zinc(+2) cation
6455513 barium(+2) cation; (E)-hexadec-9-enoate

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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