COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431218
Chemical Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromo-6-ethoxyphenylacetate
Smiles: CCOc1cc(/C=C(/c2nc3c([nH]2)cccc3)\C#N)cc(c1OC(=O)C)Br

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Molecular Weight: 426.27
Empirical Formula: C20H16BrN3O3

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 4.637
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 88
Number of rings: 3

     

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