COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK385537
Chemical Name: 4-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]-2-ethoxyphenyl2-nitrobenzenesulfonate
Smiles: CCOc1cc(ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])/C=C(/C(=O)N)\C#N

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Molecular Weight: 417.4
Empirical Formula: C18H15N3O7S

Physical State: Dry powder
Available Amount: 139 mg

Lipinsky:
logP: 2.016
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 173
Number of rings: 2

     

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