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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: SUR2
Replicates: 2
Raw OD Value: r im 0.3952±0.0414365
Normalized OD Score: sc h 0.5369±0.0521966
Z-Score: -23.4444±3.09422
p-Value: 0
Z-Factor: 0.52308
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.90 Celcius
Date:2008-05-06 YYYY-MM-DD
Plate CH Control (+):0.040675±0.00375
Plate DMSO Control (-):0.7160000000000001±0.01537
Plate Z-Factor:0.9286
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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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