COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186134
Chemical Name: (2E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(3-ethoxyphenyl)prop-2-enamide
Smiles: CCOc1cccc(c1)NC(=O)/C(=C/c1cc2OCOc2cc1Br)/C#N

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Molecular Weight: 415.24
Empirical Formula: C19H15BrN2O4

Physical State: Dry powder
Available Amount: 166 mg

Lipinsky:
logP: 5.201
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 80
Number of rings: 3

     

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