COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK129536
Chemical Name: 2-amino-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-1-methyl-1H-imidazol-3-ium
Smiles: CCOc1ccc(cc1)c1c[n+](c(n1C)N)CC(=O)c1ccc2c(c1)OCO2

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Saltdata: Br-
Molecular Weight: 380.42
Empirical Formula: C21H22N3O4

Physical State: Dry powder
Available Amount: 81 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 79
Number of rings: 4

     

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