COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048242
Chemical Name: (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: COc1cc(OC)c(cc1/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C)Br

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Molecular Weight: 400.25
Empirical Formula: C14H14BrN3O4S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 3.752
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 126
Number of rings: 2

     

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