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Compound InformationSONAR Target prediction
Name:

N,N-HEXAMETHYLENEAMILORIDE

Unique Identifier:SPE01504215
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
Reference:Biochim Biophys Acta 944: 383 (1988)
Therapeutics:Na/H+ antiporter inhibitor, diuretic

Found: 1 active | as graph: single | with analogs
Species: 4932
Condition: HTZ1
Replicates: 2
Raw OD Value: r im 0.4808±0.0420021
Normalized OD Score: sc h 2.0968±0.847881
Z-Score: 4.0498±0.783892
p-Value: 0.000238624
Z-Factor: -2.3373
Fitness Defect: 8.3406
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:20|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2007-09-26 YYYY-MM-DD
Plate CH Control (+):0.04065±0.00113
Plate DMSO Control (-):0.24215000000000003±0.06527
Plate Z-Factor:-0.6469
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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 >> 
LAT002H09 0.462962962962963
LOPAC 00857 0.454545454545455
LOPAC 00229 0.408163265306122
SPE01503999 0.369565217391304
SPE01500112 0
Prest15 0

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