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Compound InformationSONAR Target prediction
Name:

PREDNISOLONE SODIUM PHOSPHATE

Unique Identifier:SPE01505712
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H27Na2O8P
Molecular Weight:457.173 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+].[O-]P([O-])(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)
CC21C
Therapeutics:antiinflammatory, glucocorticoid

Found: 104 nonactive as graph: single | with analogs [1] << Back 101 102 103 104 Next >> [104]
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.7021±0.0123037
Normalized OD Score: sc h 1.0069±0.00485606
Z-Score: 0.4130±0.151668
p-Value: 0.68134
Z-Factor: -6.21035
Fitness Defect: 0.3837
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:21|F11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2008-09-16 YYYY-MM-DD
Plate CH Control (+):0.041874999999999996±0.00098
Plate DMSO Control (-):0.685125±0.01193
Plate Z-Factor:0.9521
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 17014 | Additional Members: 17 | Rows returned: 141 2 3 Next >> 
SPE01505125 0.577319587628866
Prest1079 0.577319587628866
Prest1284 0.454545454545455
LOPAC 00729 0.425287356321839
Prest840 0.425287356321839
LAT003F07 0.425287356321839

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