COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK288026
Chemical Name: ethyl(2E)-3-{3-bromo-4-[(2,4-dichlorobenzyl)oxy]-5-methoxyphenyl}-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C/c1cc(Br)c(c(c1)OC)OCc1ccc(cc1Cl)Cl)/C#N

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Molecular Weight: 485.16
Empirical Formula: C20H16BrCl2NO4

Physical State: Dry powder
Available Amount: 241 mg

Lipinsky:
logP: 5.797
Rotatable bonds: 8
H-donors: 0
H-acceptors: 4
PSA: 68
Number of rings: 2

     

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