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Compound InformationSONAR Target prediction
Name:

Bucladesine sodium salt

Unique Identifier:Prest32
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H25N5NaO9P
Molecular Weight:486.2 g/mol
X log p:2.324  (online calculus)
Lipinksi Failures1
TPSA161.32
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:13
Rotatable Bond Count:9
Canonical Smiles:O.[Na+].[O-]P1(=O)OCC2C(OC(C2OC(=O)CCC)n2cnc3c(NC(=O)CCC)ncnc23)O1

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 13330.0000±0
Normalized OD Score: sc h 1.0590±0
Z-Score: 1.6403±0
p-Value: 0.100951
Z-Factor: -8.86323
Fitness Defect: 2.2931
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:11|B4
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.20 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):21969.5±7626.88802
Plate DMSO Control (-):12948±7402.41727
Plate Z-Factor:-6.2689
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 11040 | Additional Members: 3 | Rows returned: 0
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