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Compound InformationSONAR Target prediction
Name:

PYRVINIUM PAMOATE

Unique Identifier:SPE01500521
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:726.541 g/mol
X log p:29.37  (online calculus)
Lipinksi Failures1
TPSA9.49
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:4
Canonical Smiles:[O-]C(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc32)C(O)=O)c1O.CN(C)c1ccc2c(ccc(
C=Cc3cc(C)n(c3C)c3ccccc3)[n+]2C)c1
Source:synthetic
Therapeutics:anthelmintic

Found: 227 nonactive | as graph: single | with analogs [1] << Back 191 192 193 194 195 196 197 198 199 200  Next >> [227]
Species: 4932
Condition: MCM21
Replicates: 2
Raw OD Value: r im 0.6113±0.00678822
Normalized OD Score: sc h 0.9462±0.0165693
Z-Score: -2.6641±0.954872
p-Value: 0.0237736
Z-Factor: -107.527
Fitness Defect: 3.7392
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:16|E4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.50 Celcius
Date:2007-11-07 YYYY-MM-DD
Plate CH Control (+):0.040225±0.00208
Plate DMSO Control (-):0.6339±0.15246
Plate Z-Factor:0.1641
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DBLink | Rows returned: 6
427876 4-[(3-carboxy-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid;
2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-6-amine
5476354 4-[(3-carboxy-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid;
2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-6-amine
5702110 4-[(3-carboxy-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylate;
2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-6-amine
11979707 4-[(3-carboxylato-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylate;
2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-6-amine
11980830 4-[(3-carboxylato-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylate;
2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-6-amine
11980902 4-[(3-carboxylato-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylate;
2-[(Z)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-N,N,1-trimethyl-quinolin-6-amine

internal high similarity DBLink | Rows returned: 0

active | Cluster 6768 | Additional Members: 2 | Rows returned: 1
LAT002F04 0

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