COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054246
Chemical Name: (2E)-3-[5-(4-carboxyphenyl)furan-2-yl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: [O-]C(=O)/C(=C\c1ccc(o1)c1ccc(cc1)C(=O)O)/Sc1[nH]nc([nH+]1)C

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Molecular Weight: 371.37
Empirical Formula: C17H13N3O5S

Physical State: Dry powder
Available Amount: 186 mg

Lipinsky:
logP: 4.213
Rotatable bonds: 4
H-donors: 3
H-acceptors: 5
PSA: 158
Number of rings: 3

     

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