COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL416014
Chemical Name: methyl(2E)-2-cyano-3-{4-[(2-cyanobenzyl)oxy]-3-ethoxy-5-iodophenyl}prop-2-enoate
Smiles: CCOc1cc(/C=C(/C(=O)OC)\C#N)cc(c1OCc1ccccc1C#N)I

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Molecular Weight: 488.28
Empirical Formula: C21H17IN2O4

Physical State: Dry powder
Available Amount: 208 mg

Lipinsky:
logP: 4.204
Rotatable bonds: 8
H-donors: 0
H-acceptors: 4
PSA: 92
Number of rings: 2

     

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