COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK185242
Chemical Name: (2E)-3-[2-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-N-(3-chloro-4-methylphenyl)-2-cyanoprop-2-enamide
Smiles: C#CCOc1cc(Br)c(cc1OC)/C=C(/C(=O)Nc1ccc(c(c1)Cl)C)\C#N

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Molecular Weight: 459.73
Empirical Formula: C21H16BrClN2O3

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 5.77
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 71
Number of rings: 2

     

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