COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK060329
Chemical Name: 4-{[(2E)-2-cyano-3-{3-ethoxy-5-iodo-4-[(2-methylbenzyl)oxy]phenyl}prop-2-enoyl]amino}benzoicacid
Smiles: CCOc1cc(/C=C(/C(=O)Nc2ccc(cc2)C(=O)O)\C#N)cc(c1OCc1ccccc1C)I

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Molecular Weight: 582.39
Empirical Formula: C27H23IN2O5

Physical State: Dry powder
Available Amount: 140 mg

Lipinsky:
logP: 6.893
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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