COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK105018
Chemical Name: ethyl(2E)-3-{3-chloro-4-[(4-chlorobenzyl)oxy]-5-ethoxyphenyl}-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C/c1cc(Cl)c(c(c1)OCC)OCc1ccc(cc1)Cl)/C#N

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Molecular Weight: 420.29
Empirical Formula: C21H19Cl2NO4

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 5.755
Rotatable bonds: 8
H-donors: 0
H-acceptors: 4
PSA: 68
Number of rings: 2

     

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