COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK827075
Chemical Name: methyl6-[(2-{[4-(acetylamino)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccc(cc1)NC(=O)C

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Molecular Weight: 512.97
Empirical Formula: C24H21ClN4O5S

Physical State: Dry powder
Available Amount: 131 mg

Lipinsky:
logP: 3.59
Rotatable bonds: 5
H-donors: 3
H-acceptors: 5
PSA: 162
Number of rings: 3

     

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