COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL505132
Chemical Name: (2Z)-3-{3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoicacid
Smiles: COc1cc(/C=C(/C(=O)O)\Sc2nnc([nH]2)C)cc(c1OCc1ccccc1F)Br

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Molecular Weight: 494.34
Empirical Formula: C20H17BrFN3O4S

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 5.315
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 122
Number of rings: 3

     

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