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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: 113 nonactive | as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [113]
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.8216±0.000494975
Normalized OD Score: sc h 1.0185±0.0044012
Z-Score: 0.5626±0.177599
p-Value: 0.576744
Z-Factor: -2.96017
Fitness Defect: 0.5504
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:20|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2006-04-19 YYYY-MM-DD
Plate CH Control (+):0.037875000000000006±0.00146
Plate DMSO Control (-):0.791425±0.01875
Plate Z-Factor:0.9251
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 4060 | Additional Members: 8 | Rows returned: 1
SPE01500112 0

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