COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049548
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: [O-]C(=O)/C(=C\c1ccc2c(c1)OCO2)/Sc1[nH]nc([nH+]1)C

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Molecular Weight: 305.31
Empirical Formula: C13H11N3O4S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 3.15
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 126
Number of rings: 3

     

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