COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048139
Chemical Name: (2Z)-3-[4-(carboxymethoxy)phenyl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: [O-]C(=O)/C(=C/c1ccc(cc1)OCC(=O)O)/Sc1[nH]nc([nH+]1)C

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Molecular Weight: 335.34
Empirical Formula: C14H13N3O5S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.181
Rotatable bonds: 5
H-donors: 3
H-acceptors: 5
PSA: 154
Number of rings: 2

     

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