COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472691
Chemical Name: (2E)-3-(2-bromo-4-ethoxy-5-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
Smiles: CCOc1cc(Br)c(cc1OC)/C=C(/C(=O)Nc1ccc2c(c1)OCCO2)\C#N

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Molecular Weight: 459.3
Empirical Formula: C21H19BrN2O5

Physical State: Dry powder
Available Amount: 372 mg

Lipinsky:
logP: 4.938
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 89
Number of rings: 3

     

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