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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 41 42 43 44 45 46 47 48
Species: 4932
Condition: SLT2
Replicates: 2
Raw OD Value: r im 0.7830±0.117945
Normalized OD Score: sc h 0.3114±0.157123
Z-Score: -33.9883±7.81415
p-Value: 0
Z-Factor: 0.256103
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:17|F5
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09275±0.00330
Plate DMSO Control (-):0.9415±0.02350
Plate Z-Factor:0.8946
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DBLink | Rows returned: 282[1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [47]
6365284 potassium (E)-docos-13-enoate
6365636 calcium (E)-hexadec-9-enoate
6366461 sodium (E)-icos-9-enoate
6366462 potassium (E)-icos-9-enoate
6430788 (E)-hexadec-8-enoic acid
6433167 calcium (E)-octadec-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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