COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL505917
Chemical Name: (2Z)-3-[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoicacid
Smiles: CCOc1cc(ccc1OCC#C)/C=C(/C(=O)O)\Sc1nnc([nH]1)C

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Molecular Weight: 359.41
Empirical Formula: C17H17N3O4S

Physical State: Dry powder
Available Amount: 177 mg

Lipinsky:
logP: 3.424
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 122
Number of rings: 2

     

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