COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057668
Chemical Name: (2E)-3-[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: CCOc1cc(ccc1OCC#C)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

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Molecular Weight: 359.41
Empirical Formula: C17H17N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.424
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 126
Number of rings: 2

     

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