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Compound InformationSONAR Target prediction
Name:

Alexidine dihydrochloride

Unique Identifier:Prest42
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C26Cl2H58N10
Molecular Weight:523.251 g/mol
X log p:-2.144  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:27
Canonical Smiles:Cl.Cl.CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC

Found: 2 nonactive | as graph: single | with analogs << Back 1 2
Species: 9606
Condition: TMPPre002
Replicates: 2
Raw OD Value: r im 3887.5000±0
Normalized OD Score: sc h 1.0650±0
Z-Score: 1.4656±0
p-Value: 0.142764
Z-Factor: -14.0618
Fitness Defect: 1.9466
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:10|F8
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):870.5±769.75857
Plate DMSO Control (-):982.5±305.13061
Plate Z-Factor:-45.8313
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 3172 | Additional Members: 6 | Rows returned: 3
SPE01503074 0.547169811320755
SPE01500177 0
LAT002C07 0

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