COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK109984
Chemical Name: ethyl(2E)-3-{4-[(4-bromobenzyl)oxy]-3-ethoxy-5-(prop-2-en-1-yl)phenyl}-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C/c1cc(OCC)c(c(c1)CC=C)OCc1ccc(cc1)Br)/C#N

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Molecular Weight: 470.36
Empirical Formula: C24H24BrNO4

Physical State: Dry powder
Available Amount: 148 mg

Lipinsky:
logP: 6.163
Rotatable bonds: 10
H-donors: 0
H-acceptors: 4
PSA: 68
Number of rings: 2

     

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