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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 << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr22h
Replicates: 2
Raw OD Value: r im 0.0394±0.00318198
Normalized OD Score: sc h 0.0572±0.00545205
Z-Score: -37.1470±4.55929
p-Value: 0
Z-Factor: 0.953621
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:26.90 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.040625±0.00276
Plate DMSO Control (-):0.6738±0.00616
Plate Z-Factor:0.9618
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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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