COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056943
Chemical Name: (2Z)-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)F)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

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Molecular Weight: 429.47
Empirical Formula: C21H20FN3O4S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 5.094
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 126
Number of rings: 3

     

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