COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886619
Chemical Name: ethyl5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1OCC)C#N)SCC(=O)Nc1c(C)cc(cc1C)C

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Molecular Weight: 521.64
Empirical Formula: C28H31N3O5S

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 6.889
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 142
Number of rings: 3

     

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