COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK522844
Chemical Name: (2E)-3-{4-[(4-bromobenzyl)oxy]-3-ethoxyphenyl}-2-cyano-N-(2,4,6-trimethylphenyl)prop-2-enamide
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)Br)/C=C(/C(=O)Nc1c(C)cc(cc1C)C)\C#N

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Molecular Weight: 519.44
Empirical Formula: C28H27BrN2O3

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 7.55
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 71
Number of rings: 3

     

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