COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK179181
Chemical Name: (2E)-3-[2-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
Smiles: CCOc1cc(/C=C(/C(=O)Nc2cccc(c2)Cl)\C#N)c(cc1OCC#C)Br

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Molecular Weight: 459.73
Empirical Formula: C21H16BrClN2O3

Physical State: Dry powder
Available Amount: 376 mg

Lipinsky:
logP: 5.841
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 71
Number of rings: 2

     

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