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Compound InformationSONAR Target prediction
Name:

GENTIAN VIOLET

Unique Identifier:SPE01500315
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:377.74 g/mol
X log p:27.412  (online calculus)
Lipinksi Failures1
TPSA9.49
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:4
Canonical Smiles:[ClH-].CN(C)c1ccc(cc1)C(c1ccc(cc1)N(C)C)=c1ccc(cc1)=[N+](C)C
Source:synthetic
Therapeutics:antibacterial, anthelmintic

Found: 13 nonactive | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: REF2
Replicates: 2
Raw OD Value: r im 0.4330±0.0292742
Normalized OD Score: sc h 1.0559±0.216146
Z-Score: 1.5671±6.20551
p-Value: 0.00239448
Z-Factor: -12.8843
Fitness Defect: 6.0346
Bioactivity Statement: Outlier
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2008-08-27 YYYY-MM-DD
Plate CH Control (+):0.0422±0.00044
Plate DMSO Control (-):0.38370000000000004±0.01511
Plate Z-Factor:0.8320
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DBLink | Rows returned: 1
313 hydrogen chloride

internal high similarity DBLink | Rows returned: 0

active | Cluster 7585 | Additional Members: 2 | Rows returned: 1
LAT001C09 0

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