COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK118327
Chemical Name: 2-amino-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-bromophenyl)-1-methyl-1H-imidazol-3-ium
Smiles: Brc1cccc(c1)c1c[n+](c(n1C)N)CC(=O)c1ccc2c(c1)OCO2

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Saltdata: Br-
Molecular Weight: 415.27
Empirical Formula: C19H17BrN3O3

Physical State: Dry powder
Available Amount: 29 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 70
Number of rings: 4

     

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