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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 161 162 163 164 165 166 167 168 169 170  Next >> [199]
Species: 4932
Condition: PDE1
Replicates: 2
Raw OD Value: r im 0.2821±0.00671751
Normalized OD Score: sc h 0.3447±0.0115928
Z-Score: -23.6491±1.27737
p-Value: 0
Z-Factor: 0.877776
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:12|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2006-05-11 YYYY-MM-DD
Plate CH Control (+):0.0378±0.00096
Plate DMSO Control (-):0.7897749999999999±0.01196
Plate Z-Factor:0.9532
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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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