COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544550
Chemical Name: methyl5-cyano-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccc(cc1)F

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Molecular Weight: 453.49
Empirical Formula: C23H20FN3O4S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 5.378
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 133
Number of rings: 3

     

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