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Compound InformationSONAR Target prediction
Name:

PENTAMIDINE ISETHIONATE

Unique Identifier:SPE01500641
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:556.399 g/mol
X log p:15.108  (online calculus)
Lipinksi Failures1
TPSA18.46
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:10
Canonical Smiles:NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1.OCCS(O)(=O)=O.OCCS(O)(=O)=O
Source:synthetic; MB-800, RP-2512
Therapeutics:antiprotozoal, inhibits nucleic acid & protein synthesis

Found: 58 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [58]
Species: 4932
Condition: SPE01501026
Replicates: 2
Raw OD Value: r im 0.5427±0.0208596
Normalized OD Score: sc h 0.8884±0.0186122
Z-Score: -4.2780±1.18363
p-Value: 0.00028992
Z-Factor: -0.822935
Fitness Defect: 8.1459
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|A9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2007-01-05 YYYY-MM-DD
Plate CH Control (+):0.042575±0.00283
Plate DMSO Control (-):0.622675±0.05252
Plate Z-Factor:0.7263
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DBLink | Rows returned: 2
8813 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid
359323 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 86 | Additional Members: 5 | Rows returned: 4
LOPAC 00389 0
Prest857 0
LAT004G04 0
LAT003H02 0

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