COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK069461
Chemical Name: ethyl(2E)-3-{3-bromo-4-[2-(4-bromophenoxy)ethoxy]-5-methoxyphenyl}-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C/c1cc(Br)c(c(c1)OC)OCCOc1ccc(cc1)Br)/C#N

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Molecular Weight: 525.19
Empirical Formula: C21H19Br2NO5

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 5.647
Rotatable bonds: 9
H-donors: 0
H-acceptors: 5
PSA: 77
Number of rings: 2

     

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