COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL229236
Chemical Name: 2-[3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Smiles: CCOc1ccc(cc1)n1c(nn(c1=S)CC(=O)c1ccc2c(c1)OCCO2)c1ccc(cc1)Br

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Molecular Weight: 552.45
Empirical Formula: C26H22BrN3O4S

Available Amount: 0 mg

Lipinsky:
logP: 4.872
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 95
Number of rings: 5

     

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