COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562394
Chemical Name: methyl6-[(2-{[4-(acetylamino)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-hydroxy-3,4-dihydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccc(cc1)NC(=O)C)O

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Molecular Weight: 512.97
Empirical Formula: C24H21ClN4O5S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.3
Rotatable bonds: 6
H-donors: 3
H-acceptors: 5
PSA: 166
Number of rings: 3

     

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