Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 61 62 63 64 65 66 67 68 69 70  Next >> [91]
Species: 4932
Condition: SKT5
Replicates: 2
Raw OD Value: r im 0.6532±0.000989949
Normalized OD Score: sc h 0.9637±0.00906547
Z-Score: -1.8056±0.460471
p-Value: 0.0859758
Z-Factor: -1.2977
Fitness Defect: 2.4537
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:20|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2008-06-17 YYYY-MM-DD
Plate CH Control (+):0.040475±0.00104
Plate DMSO Control (-):0.6561±0.01342
Plate Z-Factor:0.9229
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 1 | Additional Members: 50 | Rows returned: 142 3 Next >> 
LOPAC 00756 0
SPE01503692 0
LAT007G07 0
Prest1291 0
LAT007H07 0
LAT007E08 0

Service provided by the Mike Tyers Laboratory