COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK132314
Chemical Name: 2-amino-5-(3,4-dimethylphenyl)-1-methyl-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-imidazol-3-ium
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])C[n+]1cc(n(c1N)C)c1ccc(c(c1)C)C

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Saltdata: HBr
Molecular Weight: 365.41
Empirical Formula: C20H21N4O3

Physical State: Dry powder
Available Amount: 62 mg

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

     

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