COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432322
Chemical Name: (2E)-2-(1H-benzimidazol-2-yl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enenitrile
Smiles: COc1cc(/C=C(/c2nc3c([nH]2)cccc3)\C#N)c(cc1OC)[N+](=O)[O-]

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Molecular Weight: 350.33
Empirical Formula: C18H14N4O4

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 3.806
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 3

     

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