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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: 545 nonactive | as graph: single | with analogs [1] << Back 151 152 153 154 155 156 157 158 159 160  Next >> [545]
Species: 4932
Condition: SPE00330051
Replicates: 2
Raw OD Value: r im 0.5785±0.0168291
Normalized OD Score: sc h 0.9619±0.000367252
Z-Score: -1.4443±0.160246
p-Value: 0.15126
Z-Factor: -1.06789
Fitness Defect: 1.8888
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|A9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.70 Celcius
Date:2006-12-21 YYYY-MM-DD
Plate CH Control (+):0.03905±0.00223
Plate DMSO Control (-):0.6028249999999999±0.02152
Plate Z-Factor:0.8521
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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

active | Cluster 86 | Additional Members: 5 | Rows returned: 0
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