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Compound InformationSONAR Target prediction
Name:

Amiloride hydrochloride dihydrate

Unique Identifier:Prest15
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C6Cl2H13N7O3
Molecular Weight:289.015 g/mol
X log p:-2.813  (online calculus)
Lipinksi Failures0
TPSA41.79
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:3
Canonical Smiles:O.O.Cl.NC(=N)NC(=O)c1nc(Cl)c(N)nc1N

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 16037.0000±0
Normalized OD Score: sc h 0.8972±0
Z-Score: -2.8597±0
p-Value: 0.00424024
Z-Factor: -0.793051
Fitness Defect: 5.4631
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:1|A8
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.50 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):18471.5±2737.44289
Plate DMSO Control (-):18271±1230.24317
Plate Z-Factor:-192.4333
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 4060 | Additional Members: 8 | Rows returned: 71 2 Next >> 
SPE01504215 0.462962962962963
LAT002H09 0.462962962962963
LOPAC 00857 0.454545454545455
LOPAC 00229 0.408163265306122
SPE01503999 0.369565217391304
SPE01500112 0

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