COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054198
Chemical Name: (2E)-3-[4-(methylsulfanyl)phenyl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: CSc1ccc(cc1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

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Molecular Weight: 307.4
Empirical Formula: C13H13N3O2S2

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 3.515
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 133
Number of rings: 2

     

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