COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK780687
Chemical Name: 3-{[(6-bromo-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole
Smiles: Cn1c(nnc1Cn1c(C)ncc1[N+](=O)[O-])SCc1cc2OCOc2cc1Br

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Molecular Weight: 467.3
Empirical Formula: C16H15BrN6O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.448
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 138
Number of rings: 4

     

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