COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK112540
Chemical Name: (2E)-2-(1H-benzimidazol-2-yl)-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}prop-2-enenitrile
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=C(/c1nc2c([nH]1)cccc2)\C#N

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Molecular Weight: 440.46
Empirical Formula: C25H20N4O4

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 5.702
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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