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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: 407 active | as graph: single | with analogs [1] << Back 361 362 363 364 365 366 367 368 369 370  Next >> [407]
Species: 4932
Condition: BY4741-3rd
Replicates: 2
Raw OD Value: r im 0.9650±0.0177484
Normalized OD Score: sc h 0.7754±0.0253448
Z-Score: -9.0061±0.552678
p-Value: 3.4921e-18
Z-Factor: -3.94082
Fitness Defect: 40.196
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:4|G11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.0925±0.00289
Plate DMSO Control (-):0.9575±0.03143
Plate Z-Factor:0.9267
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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

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

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