COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472753
Chemical Name: (2E)-3-[2-bromo-5-ethoxy-4-(propan-2-yloxy)phenyl]-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
Smiles: CCOc1cc(/C=C(/C(=O)Nc2ccc3c(c2)OCCO3)\C#N)c(cc1OC(C)C)Br

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Molecular Weight: 487.35
Empirical Formula: C23H23BrN2O5

Physical State: Dry powder
Available Amount: 344 mg

Lipinsky:
logP: 5.817
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 89
Number of rings: 3

     

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