COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK130607
Chemical Name: ethyl(2E)-3-{4-[(4-bromobenzyl)oxy]-3-methoxy-5-(prop-2-en-1-yl)phenyl}-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C/c1cc(OC)c(c(c1)CC=C)OCc1ccc(cc1)Br)/C#N

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Molecular Weight: 456.34
Empirical Formula: C23H22BrNO4

Physical State: Dry powder
Available Amount: 145 mg

Lipinsky:
logP: 5.631
Rotatable bonds: 9
H-donors: 0
H-acceptors: 4
PSA: 68
Number of rings: 2

     

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