COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056318
Chemical Name: (2Z)-3-{2-[(4-carboxybenzyl)oxy]phenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: [O-]C(=O)/C(=C/c1ccccc1OCc1ccc(cc1)C(=O)O)/Sc1[nH]nc([nH+]1)C

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Molecular Weight: 411.44
Empirical Formula: C20H17N3O5S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 4.366
Rotatable bonds: 6
H-donors: 3
H-acceptors: 5
PSA: 154
Number of rings: 3

     

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