COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL272629
Chemical Name: 2-[4-(2-methylphenyl)-3-{[(4-methylphenyl)amino]methyl}-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1-(3-nitrophenyl)ethanone
Smiles: Cc1ccc(cc1)NCc1nn(c(=S)n1c1ccccc1C)CC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 473.56
Empirical Formula: C25H23N5O3S

Available Amount: 0 mg

Lipinsky:
logP: 4.389
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 125
Number of rings: 4

     

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