COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK120740
Chemical Name: 2-amino-5-(1,3-benzodioxol-5-yl)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium
Smiles: Cn1c(N)[n+](cc1c1ccc2c(c1)OCO2)CC(=O)c1ccc2c(c1)OCO2

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Saltdata: Br-
Molecular Weight: 380.38
Empirical Formula: C20H18N3O5

Physical State: Dry powder
Available Amount: 56 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 88
Number of rings: 5

     

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