COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050543
Chemical Name: (2Z)-3-{3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: COc1cc(/C=C(/C(=O)[O-])\Sc2[nH]nc([nH+]2)C)cc(c1OCc1ccccc1F)Br

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Molecular Weight: 494.34
Empirical Formula: C20H17BrFN3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.315
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 126
Number of rings: 3

     

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