COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382948
Chemical Name: 2-bromo-4-{(1E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-6-ethoxyphenylacetate
Smiles: CCOc1cc(/C=C(/C(=O)Nc2ccc(cc2)C)\C#N)cc(c1OC(=O)C)Br

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Molecular Weight: 443.3
Empirical Formula: C21H19BrN2O4

Physical State: Dry powder
Available Amount: 140 mg

Lipinsky:
logP: 4.523
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 2

     

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