COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL405739
Chemical Name: (2E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-N-(4-methoxy-2-nitrophenyl)prop-2-enamide
Smiles: COc1ccc(c(c1)[N+](=O)[O-])NC(=O)/C(=C/c1cc(OC)c(c(c1)[N+](=O)[O-])O)/C#N

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Molecular Weight: 414.33
Empirical Formula: C18H14N4O8

Physical State: Dry powder
Available Amount: 445 mg

Lipinsky:
logP: 3.819
Rotatable bonds: 5
H-donors: 2
H-acceptors: 8
PSA: 183
Number of rings: 2

     

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