COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041079
Chemical Name: (2Z)-3-[4-(benzyloxy)-3-ethoxyphenyl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: CCOc1cc(ccc1OCc1ccccc1)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

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Molecular Weight: 411.48
Empirical Formula: C21H21N3O4S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 5.042
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 126
Number of rings: 3

     

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