COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382735
Chemical Name: 2-bromo-4-{(1E)-3-[(4-chloro-2-nitrophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-6-ethoxyphenylacetate
Smiles: CCOc1cc(/C=C(/C(=O)Nc2ccc(cc2[N+](=O)[O-])Cl)\C#N)cc(c1OC(=O)C)Br

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Molecular Weight: 508.71
Empirical Formula: C20H15BrClN3O6

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.399
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 134
Number of rings: 2

     

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