COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK522694
Chemical Name: 3-{[(2E)-3-(3-bromo-5-ethoxy-4-{[(4-methoxyphenyl)carbonyl]oxy}phenyl)-2-cyanoprop-2-enoyl]amino}benzoicacid
Smiles: CCOc1cc(/C=C(/C(=O)Nc2cccc(c2)C(=O)O)\C#N)cc(c1OC(=O)c1ccc(cc1)OC)Br

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Molecular Weight: 565.38
Empirical Formula: C27H21BrN2O7

Physical State: Dry powder
Available Amount: 6 mg

Lipinsky:
logP: 6.437
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 134
Number of rings: 3

     

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