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Compound InformationSONAR Target prediction
Name:

N,N-Hexamethyleneamiloride

Unique Identifier:LAT002H09
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C12ClH18N7O
Molecular Weight:293.628 g/mol
X log p:-1.366  (online calculus)
Lipinksi Failures0
TPSA45.03
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:4
Canonical Smiles:NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1

Found: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: wt18h
Replicates: 2
Raw OD Value: r im 0.6909±0.0155563
Normalized OD Score: sc h 0.8774±0.0129805
Z-Score: -3.3970±0.252672
p-Value: 0.000819282
Z-Factor: 0.047003
Fitness Defect: 7.1071
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:2|H9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00180
Plate DMSO Control (-):0.8076749999999999±0.01978
Plate Z-Factor:0.9010
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
SPE01504215 1.0000

nonactive | Cluster 4060 | Additional Members: 8 | Rows returned: 71 2 Next >> 
SPE01504215 0.462962962962963
LOPAC 00857 0.454545454545455
LOPAC 00229 0.408163265306122
SPE01503999 0.369565217391304
SPE01500112 0
Prest15 0

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