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Compound InformationSONAR Target prediction
Name:

Pentamidine Isethionate

Unique Identifier:LAT004G04
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H34N4O10S2
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.OCCOS(=O)=O.OCCOS(=O)=O

Found: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5
Species: 4932
Condition: wt24h
Replicates: 2
Raw OD Value: r im 0.7608±0.0227688
Normalized OD Score: sc h 0.9409±0.0102395
Z-Score: -2.4365±0.288983
p-Value: 0.0169364
Z-Factor: -16.8862
Fitness Defect: 4.0783
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:4|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.040400000000000005±0.00184
Plate DMSO Control (-):0.7971250000000001±0.26825
Plate Z-Factor:-0.0715
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DBLink | Rows returned: 1
6604151 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-sulfinatooxyethanol

internal high similarity DBLink | Rows returned: 1
LOPAC 00389 1.0000

active | Cluster 86 | Additional Members: 5 | Rows returned: 1
SPE01500641 0

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