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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 51 52 53 54 55 56 57 58 Next >> [58]
Species: 4932
Condition: TIF3
Replicates: 2
Raw OD Value: r im 0.5568±0.00360624
Normalized OD Score: sc h 0.9010±0.00535436
Z-Score: -4.6539±0.385228
p-Value: 0.00000631318
Z-Factor: -31.2173
Fitness Defect: 11.9729
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|F5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2007-10-31 YYYY-MM-DD
Plate CH Control (+):0.042±0.00072
Plate DMSO Control (-):0.6058250000000001±0.20089
Plate Z-Factor:-0.2519
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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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