COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886414
Chemical Name: methyl6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: CCOc1ccc(cc1)C1C(C(=O)OC)C(=O)NC(=C1C#N)SCC(=O)NCc1ccccc1

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Molecular Weight: 479.56
Empirical Formula: C25H25N3O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.733
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 142
Number of rings: 3

     

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