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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: 199 active | as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [199]
Species: 4932
Condition: SSE1
Replicates: 2
Raw OD Value: r im 0.3657±0.0468105
Normalized OD Score: sc h 0.7696±0.131983
Z-Score: -6.3127±3.92922
p-Value: 0.000204438
Z-Factor: -1.34896
Fitness Defect: 8.4952
Bioactivity Statement: Outlier
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2008-05-01 YYYY-MM-DD
Plate CH Control (+):0.041825±0.00151
Plate DMSO Control (-):0.44795±0.01922
Plate Z-Factor:0.8568
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DBLink | Rows returned: 1
313 hydrogen chloride

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 7585 | Additional Members: 2 | Rows returned: 0
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