COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL383466
Chemical Name: 3-({(2E)-3-[5-bromo-2-(prop-2-en-1-yloxy)phenyl]-2-cyanoprop-2-enoyl}amino)benzoicacid
Smiles: C=CCOc1ccc(cc1/C=C(/C(=O)Nc1cccc(c1)C(=O)O)\C#N)Br

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Molecular Weight: 427.25
Empirical Formula: C20H15BrN2O4

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 5.314
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 99
Number of rings: 2

     

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