COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472818
Chemical Name: (2E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-cyano-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
Smiles: CCOc1cc(/C=C(/C(=O)NC(CC(C)(C)C)(C)C)\C#N)cc(c1OC)Br

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Molecular Weight: 437.38
Empirical Formula: C21H29BrN2O3

Physical State: Dry powder
Available Amount: 169 mg

Lipinsky:
logP: 5.201
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 71
Number of rings: 1

     

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