COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL367935
Chemical Name: 4-{(E)-[2-(4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)hydrazinylidene]methyl}-3-sulfobenzenesulfonate
Smiles: CCc1nnc(n1N)N/N=C/c1ccc(cc1S(=O)(=O)O)S(=O)(=O)[O-]

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Saltdata: Na+
Molecular Weight: 389.39
Empirical Formula: C11H13N6O6S2

Physical State: Dry powder
Available Amount: 587 mg

Lipinsky:
logP: -0.459
Rotatable bonds: 5
H-donors: 4
H-acceptors: 6
PSA: 209
Number of rings: 2

     

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