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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 51 52 53 54 55 56 57 58 59 60  Next >> [113]
Species: 4896
Condition: MT1181-W303mata
Replicates: 2
Raw OD Value: r im 0.3792±0.00212132
Normalized OD Score: sc h 1.0243±0.0148101
Z-Score: 0.2476±0.152784
p-Value: 0.805538
Z-Factor: -9.96055
Fitness Defect: 0.2162
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:20|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2005-12-14 YYYY-MM-DD
Plate CH Control (+):0.3587±0.02206
Plate DMSO Control (-):0.407725±0.03010
Plate Z-Factor:-1.9374
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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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