COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK126145
Chemical Name: 2-amino-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(biphenyl-4-yl)-1-methyl-1H-imidazol-3-ium
Smiles: Cn1c(c[n+](c1N)CC(=O)c1ccc2c(c1)OCO2)c1ccc(cc1)c1ccccc1

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Saltdata: Br-
Molecular Weight: 412.47
Empirical Formula: C25H22N3O3

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 0
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 70
Number of rings: 5

     

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