COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049839
Chemical Name: 4-{[(4-ammonio-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate
Smiles: [O-]C(=O)c1ccc(cc1)CSc1nnc(n1[NH3+])c1ccccc1

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Molecular Weight: 326.38
Empirical Formula: C16H14N4O2S

Physical State: Dry powder
Available Amount: 68 mg

Lipinsky:
logP: 3.803
Rotatable bonds: 2
H-donors: 3
H-acceptors: 2
PSA: 123
Number of rings: 3

     

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