COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK118948
Chemical Name: 2-amino-3-[2-(3-bromophenyl)-2-oxoethyl]-1-methyl-5-(3-nitrophenyl)-1H-imidazol-3-ium
Smiles: Brc1cccc(c1)C(=O)C[n+]1cc(n(c1N)C)c1cccc(c1)[N+](=O)[O-]

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Saltdata: Br-
Molecular Weight: 416.25
Empirical Formula: C18H16BrN4O3

Physical State: Dry powder
Available Amount: 93 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 97
Number of rings: 3

     

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