COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK110988
Chemical Name: ethyl(2E)-3-{3-bromo-4-[(4-cyanobenzyl)oxy]-5-methoxyphenyl}-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C/c1cc(Br)c(c(c1)OC)OCc1ccc(cc1)C#N)/C#N

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Molecular Weight: 441.28
Empirical Formula: C21H17BrN2O4

Physical State: Dry powder
Available Amount: 140 mg

Lipinsky:
logP: 4.031
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 92
Number of rings: 2

     

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