COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL508146
Chemical Name: prop-2-yn-1-yl(2E)-3-{3-bromo-5-chloro-4-[(2,4-dichlorobenzyl)oxy]phenyl}prop-2-enoate
Smiles: C#CCOC(=O)/C=C/c1cc(Cl)c(c(c1)Br)OCc1ccc(cc1Cl)Cl

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Molecular Weight: 474.56
Empirical Formula: C19H12BrCl3O3

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 6.5
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 35
Number of rings: 2

     

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