COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382758
Chemical Name: 4-{(1E)-3-[(2-bromo-4-nitrophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenylacetate
Smiles: CCOc1cc(ccc1OC(=O)C)/C=C(/C(=O)Nc1ccc(cc1Br)[N+](=O)[O-])\C#N

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Molecular Weight: 474.27
Empirical Formula: C20H16BrN3O6

Physical State: Dry powder
Available Amount: 48 mg

Lipinsky:
logP: 4.184
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 134
Number of rings: 2

     

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