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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 51 52 53 54 55 56 57 58 59 60  Next >> [199]
Species: 4932
Condition: LAT1
Replicates: 2
Raw OD Value: r im 0.3881±0.0207182
Normalized OD Score: sc h 0.5733±0.0330196
Z-Score: -21.0727±2.97264
p-Value: 0
Z-Factor: 0.517346
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:27.20 Celcius
Date:2008-04-23 YYYY-MM-DD
Plate CH Control (+):0.04015±0.00068
Plate DMSO Control (-):0.65995±0.02324
Plate Z-Factor:0.9236
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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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