COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK117351
Chemical Name: 2-amino-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1-methyl-5-(3-nitrophenyl)-1H-imidazol-3-ium
Smiles: O=C(c1ccc2c(c1)OCO2)C[n+]1cc(n(c1N)C)c1cccc(c1)[N+](=O)[O-]

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Saltdata: Br-
Molecular Weight: 381.37
Empirical Formula: C19H17N4O5

Physical State: Dry powder
Available Amount: 95 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 116
Number of rings: 4

     

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