COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL383463
Chemical Name: 3-{[(2E)-3-{4-[(4-bromobenzyl)oxy]-3-ethoxyphenyl}-2-cyanoprop-2-enoyl]amino}benzoicacid
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)Br)/C=C(/C(=O)Nc1cccc(c1)C(=O)O)\C#N

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Molecular Weight: 521.37
Empirical Formula: C26H21BrN2O5

Physical State: Dry powder
Available Amount: 43 mg

Lipinsky:
logP: 6.196
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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