COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054659
Chemical Name: {[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetate
Smiles: [O-]C(=O)CSc1[nH+]nc(n1C)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 305.4
Empirical Formula: C15H19N3O2S

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 4.191
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 97
Number of rings: 2

     

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