COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053894
Chemical Name: (2Z)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-phenylprop-2-enoate
Smiles: [O-]C(=O)/C(=C/c1ccccc1)/Sc1[nH]nc([nH+]1)C

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Molecular Weight: 261.3
Empirical Formula: C12H11N3O2S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 3.029
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 108
Number of rings: 2

     

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