COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL271091
Chemical Name: 4-[4-amino-5-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-1-{2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}pyridinium
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nnc(n1N)c1cc[n+](cc1)CC(=O)Nc1cc(C)ccc1C

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Saltdata: Cl-
Molecular Weight: 516.65
Empirical Formula: C27H30N7O2S

Available Amount: 0 mg

Lipinsky:
logP: 0.393
Rotatable bonds: 4
H-donors: 4
H-acceptors: 2
PSA: 144
Number of rings: 4

     

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