COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK288036
Chemical Name: (2E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]prop-2-enenitrile
Smiles: C#CCOc1c(Br)cc(cc1OCC)/C=C(/c1nc2c([nH]1)cccc2)\C#N

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Molecular Weight: 422.28
Empirical Formula: C21H16BrN3O2

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 5.107
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 70
Number of rings: 3

     

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