COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL416755
Chemical Name: ethyl6-amino-5-cyano-4-[3,5-dibromo-4-(prop-2-en-1-yloxy)phenyl]-2-methyl-4H-pyran-3-carboxylate
Smiles: C=CCOc1c(Br)cc(cc1Br)C1C(=C(C)OC(=C1C#N)N)C(=O)OCC

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Molecular Weight: 498.17
Empirical Formula: C19H18Br2N2O4

Physical State: Dry powder
Available Amount: 194 mg

Lipinsky:
logP: 3.907
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 94
Number of rings: 2

     

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