COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK435275
Chemical Name: (2E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(2,4-dimethoxyphenyl)prop-2-enamide
Smiles: COc1ccc(c(c1)OC)NC(=O)/C(=C/c1cc2OCOc2cc1Br)/C#N

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Molecular Weight: 431.24
Empirical Formula: C19H15BrN2O5

Physical State: Dry powder
Available Amount: 733 mg

Lipinsky:
logP: 4.138
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 89
Number of rings: 3

     

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