COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472853
Chemical Name: (2E)-2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3-{3-ethoxy-4-[(3-methoxybenzyl)oxy]phenyl}prop-2-enamide
Smiles: CCOc1cc(ccc1OCc1cccc(c1)OC)/C=C(/C(=O)Nc1sc(c(c1C#N)CC)C)\C#N

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Molecular Weight: 501.61
Empirical Formula: C28H27N3O4S

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 6.689
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 132
Number of rings: 3

     

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