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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: RSC2
Replicates: 2
Raw OD Value: r im 0.3877±0.0205061
Normalized OD Score: sc h 1.0417±0.124789
Z-Score: 1.1078±3.38058
p-Value: 0.100051
Z-Factor: -16.3019
Fitness Defect: 2.3021
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2007-12-12 YYYY-MM-DD
Plate CH Control (+):0.042925000000000005±0.00088
Plate DMSO Control (-):0.3595±0.02033
Plate Z-Factor:0.8283
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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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