COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039236
Chemical Name: ({4-methyl-5-[4-(propanoylamino)phenyl]-4H-1,2,4-triazol-2-ium-3-yl}sulfanyl)acetate
Smiles: CCC(=O)Nc1ccc(cc1)c1n[nH+]c(n1C)SCC(=O)[O-]

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Molecular Weight: 320.37
Empirical Formula: C14H16N4O3S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 2.331
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 126
Number of rings: 2

     

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