COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566198
Chemical Name: 2-{3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-phenyl-1H-1,2,4-triazol-4-ium-5-yl}phenolate
Smiles: COc1cc(/C=C/c2nn(c([nH+]2)c2ccccc2[O-])c2ccccc2)ccc1OC

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Molecular Weight: 399.45
Empirical Formula: C24H21N3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.85
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 73
Number of rings: 4

     

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