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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 111 112 113
Species: 4932
Condition: TOR1
Replicates: 2
Raw OD Value: r im 1.0446±0.0157685
Normalized OD Score: sc h 1.0181±0.00475609
Z-Score: 1.8719±0.132049
p-Value: 0.062345
Z-Factor: -4.244
Fitness Defect: 2.7751
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:24|H5
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):-0.00115±0.00163
Plate DMSO Control (-):0.9995±0.02603
Plate Z-Factor:0.9157
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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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