COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK727946
Chemical Name: (2Z)-3-[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoicacid
Smiles: C#CCOc1ccc(cc1/C=C(/C(=O)O)\Sc1nnc([nH]1)C)Br

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Molecular Weight: 394.25
Empirical Formula: C15H12BrN3O3S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 4.164
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 113
Number of rings: 2

     

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