COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL445257
Chemical Name: (2E)-3-(5-bromo-2-hydroxy-3-nitrophenyl)-2-cyano-N-(4-methoxy-2-nitrophenyl)prop-2-enamide
Smiles: COc1ccc(c(c1)[N+](=O)[O-])NC(=O)/C(=C/c1cc(Br)cc(c1O)[N+](=O)[O-])/C#N

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Molecular Weight: 463.2
Empirical Formula: C17H11BrN4O7

Physical State: Dry powder
Available Amount: 355 mg

Lipinsky:
logP: 5.176
Rotatable bonds: 4
H-donors: 2
H-acceptors: 7
PSA: 173
Number of rings: 2

     

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