COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK024262
Chemical Name: 4-{[(2E)-3-{3-bromo-5-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-cyanoprop-2-enoyl]amino}benzoicacid
Smiles: CCOc1cc(/C=C(/C(=O)Nc2ccc(cc2)C(=O)O)\C#N)cc(c1OCc1cccc(c1)C)Br

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Molecular Weight: 535.39
Empirical Formula: C27H23BrN2O5

Available Amount: 0 mg

Lipinsky:
logP: 6.72
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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