COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047141
Chemical Name: 2-{4-methyl-5-[(E)-2-phenylethenyl]-4H-1,2,4-triazol-2-ium-3-yl}phenolate
Smiles: Cn1c(/C=C/c2ccccc2)n[nH+]c1c1ccccc1[O-]

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Molecular Weight: 277.33
Empirical Formula: C17H15N3O

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 4.834
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 55
Number of rings: 3

     

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