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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 31 32 33 34 35 36 37 38 39 40  Next >> [48]
Species: 4932
Condition: PDE1
Replicates: 2
Raw OD Value: r im 0.6985±0.0290621
Normalized OD Score: sc h 0.8652±0.0304768
Z-Score: -4.8445±0.922756
p-Value: 0.0000138451
Z-Factor: -0.150131
Fitness Defect: 11.1876
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2006-05-11 YYYY-MM-DD
Plate CH Control (+):0.0379±0.00152
Plate DMSO Control (-):0.7935249999999999±0.01503
Plate Z-Factor:0.9151
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DBLink | Rows returned: 282[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [47]
5281120 (E)-tetracos-15-enoic acid
5281125 (E)-octadec-6-enoic acid
5281127 (E)-octadec-11-enoic acid
5282256 (E)-17-methyloctadec-6-enoic acid
5282674 (E)-2-propyloctadec-9-enoic acid
5282732 (E)-dodec-7-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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