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Compound InformationSONAR Target prediction
Name:

Chlorhexidine

Unique Identifier:LAT002C07
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22Cl4H32N10
Molecular Weight:546.114 g/mol
X log p:15.712  (online calculus)
Lipinksi Failures2
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:17
Canonical Smiles:Cl.Cl.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1

Found: 5 active as graph: single | with analogs 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.0425±0.00240416
Normalized OD Score: sc h 0.0673±0.00363964
Z-Score: -26.2392±2.08594
p-Value: 0
Z-Factor: 0.908179
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:LATCA
Plate Number and Position:2|C7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.03955±0.00248
Plate DMSO Control (-):0.647475±0.01609
Plate Z-Factor:0.8987
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 2
Prest53 1.0000
SPE01500177 1.0000

active | Cluster 3172 | Additional Members: 6 | Rows returned: 3
Prest42 0.547169811320755
SPE01503074 0.547169811320755
SPE01500177 0

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