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Compound InformationSONAR Target prediction
Name:

ENOXAPARIN SODIUM (1% wt/vol in 10%aq DMSO)

Unique Identifier:SPE01505035
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C57H82N4Na4O53S3
Molecular Weight:1776.76 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:[Na+].[Na+].[Na+].[Na+].[O-]C(=O)C1OC(OC2C(O)C(NC(C)=O)C(OC2COS([O-])(
=O)=O)OC2C(O)C(O)C(OC3C(O)C(NC(C)=O)C(OC3CO)OC3C(O)C(O)C(OC4C(O)C(NC(C
)=O)C(OC4COS([O-])(=O)=O)OC4C(O)C(O)C(OC5C(O)C(NC(C)=O)C(OC)OC5CO)OC4C
(O)=O)OC3C(O)=O)OC2C(O)=O)C(OS([O-])(=O)=O)C(
Source:mixed low mol wt fragment of heparin; smallest fragment shown; RP-54563, PK-10169
Therapeutics:antithrombotic

Found: 91 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [91]
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.4737±0.00883884
Normalized OD Score: sc h 0.9754±0.0173116
Z-Score: -0.7285±0.520879
p-Value: 0.495718
Z-Factor: -10.6788
Fitness Defect: 0.7017
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:20|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2008-02-05 YYYY-MM-DD
Plate CH Control (+):0.042225±0.00128
Plate DMSO Control (-):0.477±0.02004
Plate Z-Factor:0.8734
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 1 | Additional Members: 50 | Rows returned: 452 3 4 5 6 7 8 Next >> 
LAT007D08 0
LAT026D06 0
LAT007C08 0
Prest1333 0
LAT007H08 0
SPE01505111 0

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