COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK541538
Chemical Name: methyl6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C(C)C)C#N)SCC(=O)NCc1ccccc1

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Molecular Weight: 477.58
Empirical Formula: C26H27N3O4S

Physical State: Dry powder
Available Amount: 380 mg

Lipinsky:
logP: 5.625
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 133
Number of rings: 3

     

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