COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183570
Chemical Name: ethyl(2E)-3-{2-bromo-4-[(3,4-dichlorobenzyl)oxy]-5-methoxyphenyl}-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C/c1cc(OC)c(cc1Br)OCc1ccc(c(c1)Cl)Cl)/C#N

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Molecular Weight: 485.16
Empirical Formula: C20H16BrCl2NO4

Physical State: Dry powder
Available Amount: 156 mg

Lipinsky:
logP: 6.059
Rotatable bonds: 8
H-donors: 0
H-acceptors: 4
PSA: 68
Number of rings: 2

     

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