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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 41 42 43 44 45 46 47 48 49 50  Next >> [113]
Species: 4932
Condition: IDH2
Replicates: 2
Raw OD Value: r im 0.6094±0.0177484
Normalized OD Score: sc h 1.0202±0.00721905
Z-Score: 1.0076±0.336992
p-Value: 0.327262
Z-Factor: -3.57641
Fitness Defect: 1.117
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:20|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.00 Celcius
Date:2007-10-19 YYYY-MM-DD
Plate CH Control (+):0.0409±0.00099
Plate DMSO Control (-):0.59375±0.02045
Plate Z-Factor:0.8699
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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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