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Compound InformationSONAR Target prediction
Name:

Gentian Violet

Unique Identifier:LAT001C09
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C25ClH31N3
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

Found: 5 active as graph: single | with analogs 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.4253±0.0399515
Normalized OD Score: sc h 0.6849±0.0747364
Z-Score: -8.8493±2.77896
p-Value: 0.00000000000290432
Z-Factor: -5.20731
Fitness Defect: 26.5648
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:1|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.040175±0.00183
Plate DMSO Control (-):0.629975±0.20881
Plate Z-Factor:-0.0737
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 7585 | Additional Members: 2 | Rows returned: 1
SPE01500315 0

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