COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK084710
Chemical Name: 2-{[(2E)-2-cyano-3-(3-ethoxy-4-{[(4-methylphenyl)carbonyl]oxy}phenyl)prop-2-enoyl]amino}benzoicacid
Smiles: CCOc1cc(ccc1OC(=O)c1ccc(cc1)C)/C=C(/C(=O)Nc1ccccc1C(=O)O)\C#N

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Molecular Weight: 470.48
Empirical Formula: C27H22N2O6

Physical State: Dry powder
Available Amount: 333 mg

Lipinsky:
logP: 6.532
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 125
Number of rings: 3

     

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