COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK136434
Chemical Name: 5-(3,4-dimethylphenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-2-amine
Smiles: Cc1cc(ccc1C)c1cnc(n1C)NCc1cc2OCOc2cc1[N+](=O)[O-]

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Saltdata: C2H2O4
Molecular Weight: 380.4
Empirical Formula: C20H20N4O4

Physical State: Dry powder
Available Amount: 117 mg

Lipinsky:
logP: 4.32
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 94
Number of rings: 4

     

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