COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK977678
Chemical Name: (2E)-2-(1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enenitrile
Smiles: COc1cc(/C=C(/c2nc3c([nH]2)cccc3)\C#N)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 336.31
Empirical Formula: C17H12N4O4

Physical State: Dry powder
Available Amount: 159 mg

Lipinsky:
logP: 3.888
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 127
Number of rings: 3

     

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